Home Pyridines 100-48-1
100-48-1,MFCD00006417
Catalog No.:AA00003F
100-48-1 | 4-Cyanopyridine
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5g
98%
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$10.00
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25g
98%
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$15.00
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100g
98%
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500g
99%(GC)
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00003F
Chemical Name:
4-Cyanopyridine
CAS Number:
100-48-1
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
MDL Number:
MFCD00006417
IUPAC Name:
pyridine-4-carbonitrile
InChI:
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
InChI Key:
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccncc1
EC Number:
202-856-2
UNII:
BY3226D010
NSC Number:
60681
Properties
Computed Properties
 
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.037g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.112g/mol
Monoisotopic Mass:
104.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
4-cyanopyridine 
4-CYANOPYRIDINE 
UNII-BY3226D010 
GPHQHTOMRSGBNZ-UHFFFAOYSA-N 
MFCD00006417 
BY3226D010 
4-Cyanopyridine, 98% 
gamma-Cyanopyridine 
p-cyanopyridine 
EINECS 202-856-2 
NSC 60681 
PubChem11155 
Isonicotinonitrile 
AI3-19232 
AC1L1OWY 
AC1Q4RIM 
ACMC-1BO6D 
DSSTox_CID_21528 
DSSTox_RID_79767 
DSSTox_GSID_41528 
4-Pyridinecarbonitrile, 98% 
SCHEMBL151611 
AC1Q4R48 
100-48-1 
CHEMBL504918 
Jsp000123 
DTXSID9041528 
CTK0H5296 
GPHQHTOMRSGBNZ-UHFFFAOYSA- 
ZINC331641 
ACT01368 
KS-000002PD 
NSC60681 
Tox21_300741 
4-Pyridinecarbonitrile 
ANW-14295 
BBL012855 
NSC-60681 
SBB008923 
STK870425 
AKOS000119008 
AM81279 
MCULE-4377487578 
RP17887 
RTC-010058 
pyridine-4-carbonitrile 
TRA0049705 
TRA0086993 
Fampridine Impurity 2 (4-Cyanopyridine) 
NCGC00248155-01 
NCGC00254647-01 
AJ-19440 
AK-76782 
CAS-100-48-1 
CJ-02794 
DS-16750 
Isonicotinic acid nitrile 
H325 
SC-16376 
ZB010568 
4-Cyanopyridine; Isonicotinic acid nitrile 
AB1001189 
DB-016063 
ST2413149 
TL8006997 
CS-0015782 
FT-0618310 
4-Pyridinenitrile 
ST50214600 
T7255 
C02234 
4-Pyridinecarbonitrile, purum, >=96.0% (GC) 
AC-907/25014099 
Q-200465 
Z57899720 
F0001-0018 
InChI=1/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H 
isonicotinonitril- 
4-Cyano pyridine 
4-Cyanopiperidine 
4-Cyanobenzotrifluoride 
4-Dimethylaminopyridine 
C6H4N2 
4-Cyanopyridine, 97% 100g 
CID7506 
ACN-S002217 
C6-H4-N2 
AR-1J2692 
c0457 
.gamma.-Cyanopyridine 
4-Cyanopyridine, 99% - 100G 100g 
A16206 
101001-60-9 
1122-58-3 
174610-12-9 
Literature

Title: Oligo(borolyl)benzenes--synthesis and properties.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20121105

Title: A triclinic polymorph of 4-cyano-pyridinium hydrogen chloranilate.

Journal: Acta crystallographica. Section E, Structure reports online 20121001

Title: 4-Cyano-pyridinium hydrogen sulfate.

Journal: Acta crystallographica. Section E, Structure reports online 20120701

Title: 4-Cyano-pyridinium chloride.

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: Oxalic acid-pyridine-4-carbonitrile (1/2).

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: 4-Cyano-pyridinium dihydrogen phosphate-isonicotinonitrile-phospho-ric acid (1/1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: 4-Cyano-pyridinium nitrate.

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: 4-Cyano-pyridinium bromide.

Journal: Acta crystallographica. Section E, Structure reports online 20120601

Title: Purification and characterization of heterologously expressed nitrilases from filamentous fungi.

Journal: Applied microbiology and biotechnology 20120201

Title: Nocardia globerula NHB-2 nitrilase catalysed biotransformation of 4-cyanopyridine to isonicotinic acid.

Journal: AMB Express 20120101

Title: Tetra-μ-acetato-κO:O'-bis-[(3-cyano-pyridine-κN)ruthenium(II,III)](Ru-Ru) hexa-fluoridophosphate 1,2-dichloro-ethane monosolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20111101

Title: Computational prediction of salt and cocrystal structures--does a proton position matter?

Journal: International journal of pharmaceutics 20111014

Title: One-pot synthesis of imidazoles from aromatic nitriles with nickel catalysts.

Journal: Chemical communications (Cambridge, England) 20110928

Title: An improved nitrilase-mediated bioprocess for synthesis of nicotinic acid from 3-cyanopyridine with hyperinduced Nocardia globerula NHB-2.

Journal: Journal of industrial microbiology & biotechnology 20110901

Title: Persistence of the three-state description of mixed valency at the localized-to-delocalized transition.

Journal: Journal of the American Chemical Society 20110608

Title: Isonicotinonitrile-4-methyl-benzoic acid (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Dibromidobis(pyridine-3-carbonitrile-κN)mercury(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: Vibrational solvatochromism and electrochromism of infrared probe molecules containing C≡O, C≡N, C=O, or C-F vibrational chromophore.

Journal: The Journal of chemical physics 20110421

Title: Heterologous expression, purification and characterization of nitrilase from Aspergillus niger K10.

Journal: BMC biotechnology 20110101

Title: Dibromidobis(pyridine-3-carbonitrile-κN)zinc(II).

Journal: Acta crystallographica. Section E, Structure reports online 20110101

Title: Tetra-kis(4-cyano-pyridine)-palladium(II) bis-(trifluoro-methane-sulfonate).

Journal: Acta crystallographica. Section E, Structure reports online 20100801

Title: Ligand-exchange processes on solvated zinc cations: water exchange on [Zn(H2O)4(L)]2+.2H2O (L=heterocyclic ligand).

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20100625

Title: Isonicotinonitrile-benzoic acid (1/1).

Journal: Acta crystallographica. Section E, Structure reports online 20100301

Title: Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids.

Journal: Physical chemistry chemical physics : PCCP 20100227

Title: Syntheses, structures and spectroscopy of uni- and bi-dentate nitrogen base complexes of silver(I) trifluoromethanesulfonate.

Journal: Dalton transactions (Cambridge, England : 2003) 20100121

Title: Superoxidedismutase-mimetic copper(II) complexes containing saccharinate and 4-aminopyridine/4-cyanopyridine.

Journal: Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements (GMS) 20100101

Title: Continuous hydrolysis of 4-cyanopyridine by nitrilases from Fusarium solani O1 and Aspergillus niger K10.

Journal: Applied microbiology and biotechnology 20091101

Title: Dichloridobis(phenanthridine-κN)zinc(II).

Journal: Acta crystallographica. Section E, Structure reports online 20090701

Title: Rates of electron self-exchange reactions between oxo-centered ruthenium clusters are determined by orbital overlap.

Journal: Inorganic chemistry 20090601

Title: Poly[[diaqua-deca-μ-cyanido-hexa-cyanidobis-(4-cyano-pyridine)di-μ-pyrimidine-tricopper(II)ditungsten(V)] dihydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: Sandwich-type tetranuclear lanthanide complexes with cucurbit[6]uril: from molecular compounds to coordination polymers.

Journal: Inorganic chemistry 20081006

Title: catena-Poly[[dibromidomercury(II)]-μ-3-(1-methyl-pyrrolidin-2-yl)pyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: 4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays.

Journal: Journal of agricultural and food chemistry 20080813

Title: Mössbauer analysis of substituted diiron(II) tetraiminediphenolate macrocyclic complexes.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080801

Title: catena-Poly[[diiodidomercury(II)]-μ-nicotine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20080801

Title: catena-Poly[manganese(II)-(μ(2)-3,5-di-2-pyridyl-1,2,4-triazol-ato)-μ(2)-formato].

Journal: Acta crystallographica. Section E, Structure reports online 20080801

Title: Toward prediction of alkane/water partition coefficients.

Journal: Journal of medicinal chemistry 20080710

Title: Redetermination of pyridine-4-carbonitrile-chloranilic acid (1/1) at 180 K.

Journal: Acta crystallographica. Section E, Structure reports online 20080701

Title: 3,6-Di-4-pyridyl-1,4-dihydro-1,2,4,5-tetra-zine.

Journal: Acta crystallographica. Section E, Structure reports online 20080701

Title: On the origin of the color in the solid state. Crystal structure and optical and magnetic properties of 4-cyanopyridinium hydrogensquarate monohydrate.

Journal: The journal of physical chemistry. A 20080403

Title: Electronic ground states of low-spin iron(III) porphyrinoids.

Journal: Journal of inorganic biochemistry 20080301

Title: Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.

Journal: Studies in mycology 20080101

Title: N-Butyl-pyridine-4-thio-carboxamide.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: DNA binding and topoisomerase II inhibitory activity of water-soluble ruthenium(II) and rhodium(III) complexes.

Journal: Inorganic chemistry 20071210

Title: Vapor-phase photochemistry of methyl- and cyanopyridines: deuterium labeling studies.

Journal: The Journal of organic chemistry 20070914

Title: 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments.

Journal: Journal of agricultural and food chemistry 20070725

Title: Proton transfer in hydrogen-bonded pyridine/acid systems: the role of higher aggregation.

Journal: Physical chemistry chemical physics : PCCP 20070628

Title: Purification and characterization of a nitrilase from Aspergillus niger K10.

Journal: Applied microbiology and biotechnology 20061201

Title: Ethyne-bridged (porphinato)zinc(II)-(porphinato)iron(III) complexes: phenomenological dependence of excited-state dynamics upon (porphinato)iron electronic structure.

Journal: Journal of the American Chemical Society 20060816

Title: Water induces a structural conversion and accelerates the oxygenation of carboxylate-bridged non-heme diiron enzyme synthetic analogues.

Journal: Inorganic chemistry 20060807

Title: [Reaction of pyridinium and quinolinium salts having the leaving group at the 2- or 4-position with active methylene compounds].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20060201

Title: Tuning the electronic communication and rates of intramolecular electron transfer of dimers of trinuclear ruthenium clusters: bridging and ancillary ligand effects.

Journal: Inorganic chemistry 20060123

Title: Mild hydrolysis of nitriles by Fusarium solani strain O1.

Journal: Folia microbiologica 20060101

Title: Interplay between intra- and interligand charge transfer with variation of the axial N-heterocyclic ligand in osmium(II) pyridylpyrazolate complexes: extensive color tuning by phosphorescent solvatochromism.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20051021

Title: NMR and EPR studies of low-spin Fe(III) complexes of meso-tetra-(2,6-disubstituted phenyl)porphyrinates complexed to imidazoles and pyridines of widely differing basicities.

Journal: Inorganic chemistry 20051017

Title: Chain amplification in photoreactions of N-alkoxypyridinium salts with alcohols: mechanism and kinetics.

Journal: The Journal of organic chemistry 20050819

Title: Solvent dependent conformational isomerism and ligand oxidation of novel Ru(II) cyclen complexes.

Journal: Inorganic chemistry 20050808

Title: Water affects the stereochemistry and dioxygen reactivity of carboxylate-rich diiron(II) models for the diiron centers in dioxygen-dependent non-heme enzymes.

Journal: Journal of the American Chemical Society 20050615

Title: Control of electron acceptor ability with ligands (L) in photoinduced electron transfer from zinc porphyrin or zinc phthalocyanine to [Ru3(mu3-O)(mu-CH3COO)6L3]+.

Journal: Inorganic chemistry 20050307

Title: Method for the evaluation of the reorganization energy of electron transfer reactions produced under restricted geometry conditions.

Journal: The journal of physical chemistry. B 20050210

Title: 4-cyanopyridine, a versatile spectroscopic probe for cytochrome P450 BM3.

Journal: The Journal of biological chemistry 20041119

Title: Photodissociation of CO from [Ru3(mu3-O)(mu-OOCCH3)6(CO)L2] in acetonitrile, where L = pyridine, 4-cyanopyridine and methanol.

Journal: Dalton transactions (Cambridge, England : 2003) 20040921

Title: Excited-state characters and dynamics of [W(CO)(5)(4-cyanopyridine)] and [W(CO)(5)(piperidine)] studied by picosecond time-resolved IR and resonance Raman spectroscopy and DFT calculations: roles of W --> L and W --> CO MLCT and LF excited states revised.

Journal: Inorganic chemistry 20040308

Title: Structural, NMR, and EPR studies of S = (1)/(2) and S = (3)/(2) Fe(III) bis(4-cyanopyridine) complexes of dodecasubstituted porphyrins.

Journal: Inorganic chemistry 20040126

Title: Two-dimensional metamagnet composed of cyano-bridged CuII-WV bimetallic assembly.

Journal: Chemical communications (Cambridge, England) 20031121

Title: Isolation and crystallographic characterization of a solid precipitate/intermediate in the preparation of 5-substituted 1H-tetrazoles from nitrile in water.

Journal: Inorganic chemistry 20030630

Title: Spontaneously organizing metal connectors as supramolecular structure directors of two- and three-dimensional organometallic assemblies.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20030414

Title: A novel three-dimensional coordination polymer constructed with mixed-valence dimeric copper(I,II) units.

Journal: Chemical communications (Cambridge, England) 20030207

Title: Hydrothermal preparation of novel Cd(II) coordination polymers employing 5-(4-pyridyl)tetrazolate as a bridging ligand.

Journal: Inorganic chemistry 20021216

Title: Solvent dynamical control of electron-transfer rates in mixed-valence complexes observed by infrared spectral line shape coalescence.

Journal: Journal of the American Chemical Society 20020605

Title: Comproportionation reaction and hindered rotation of coordinated pyridine rings in an acetate-bridged tetraplatinum(II) cluster with pyridine-based ligands in the cluster plane.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20011217

Title: 4-Cyanopyridine and amide-N and amide-O linkage isomers of 4-pyridinecarboxamide on trans-chloro(1,4,8,11-tetraazacyclotetradecane)ruthenium(II/III).

Journal: Inorganic chemistry 20011008

Title: Tetrakis(mu-acetato-O,O')bis[(4-cyanopyridine-N)copper(II)].

Journal: Acta crystallographica. Section C, Crystal structure communications 20010901

Title: Normal coordinate analysis of 4-aminopyridine. Effect of substituent on pyridine ring in metal complexes of 4-substituted pyridines.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010601

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