Home Pyridines 100-54-9
100-54-9,MFCD00006372
Catalog No.:AA00004K
3-Cyanopyridine | 100-54-9
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5g
97%
in stock  
$10.00
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25g
97%
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$15.00
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100g
97%
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500g
98%(GC)
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00004K
Chemical Name:
3-Cyanopyridine
CAS Number:
100-54-9
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
MDL Number:
MFCD00006372
IUPAC Name:
pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChI Key:
GZPHSAQLYPIAIN-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1
EC Number:
202-863-0
UNII:
X64V0K6260
NSC Number:
17558
Properties
Computed Properties
 
Complexity:
111  
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:
0.2  

Synonyms
 
3-cyanopyridine 
nicotinic acid nitrile 
3-Azabenzonitrile 
InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5 
nicotinonitril- 
3-cyanopiperidine 
3-piridincarbonitrilo 
CID79 
C6H4N2 
C6-H4-N2 
c0456 
3-Cyanopyridine, 98% - 25G 25g 
ACN-049542 
3-Cyjanopirydyna 
Nitryl kwasu nikotynowego 
3-Cyjanopirydyna [Polish] 
NSC 17558 
UNII-X64V0K6260 
HSDB 5335 
3-Pyridinecarboxylic acid, nitrile 
Nitryl kwasu nikotynowego [Polish] 
EINECS 202-863-0 
3-cyanopyridine 
BRN 0107711 
AI3-15766 
CHEBI:86556 
GZPHSAQLYPIAIN-UHFFFAOYSA-N 
MFCD00006372 
X64V0K6260 
3-Cyanopyridine, 98% 
DSSTox_CID_6665 
DSSTox_RID_78179 
DSSTox_GSID_26665 
Nicotinonitrile 
CAS-100-54-9 
3-cyano pyridine 
3-Pyridyl cyanide 
PncA Inhibitor, 5 
Pyridine, 3-cyano- 
PubChem11233 
ACMC-1CADF 
bmse000622 
EC 202-863-0 
AC1L18FM 
100-54-9 
SCHEMBL28776 
5-22-02-00115 (Beilstein Handbook Reference) 
KSC177Q9F 
Nicotinamidase Inhibitor, 23 
3-Pyridinecarbonitrile, 98% 
ARONIS25344 
AC1Q4R47 
Jsp000139 
CHEMBL3181972 
DTXSID1026665 
3-PYRIDINECARBONITRILE 
BDBM92856 
CTK0H7892 
ZINC331637 
NSC17558 
Tox21_201669 
Tox21_300354 
ANW-14315 
BBL037217 
NSC-17558 
SBB007554 
pyridine-3-carbonitrile 
STK046164 
AKOS000119616 
AC-2424 
AM81277 
FG-0468 
MCULE-9131126037 
NE10440 
RP17888 
TRA0026145 
TRA0047671 
Nicotinic acid nitrile 
3-Cyanopyridine; Nicotinic acid nitrile 
NCGC00248004-01 
NCGC00248004-02 
NCGC00254450-01 
NCGC00259218-01 
AJ-19439 
AK-76753 
AN-14003 
CJ-02793 
LS-96645 
3-Pyridinenitrile 
SC-22775 
TL806372 
ZB010567 
AB1001139 
DB-023674 
RT-000670 
ST2407501 
CS-0003918 
FT-0615558 
ST45054138 
3-Pyridylcarbonitrile 
144170-EP2270505A1 
144170-EP2287165A2 
144170-EP2287166A2 
144170-EP2292620A2 
AC-907/25014098 
I02-0325 
W-108955 
Z57899719 
F2108-0102 
6C16C9E3-90DC-4565-9F55-F6CC5D13CC33 
Literature

Title: Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation.

Journal: Journal of medicinal chemistry 20120614

Title: Palladium(II) containing γ-Keggin silicodecatungstate that efficiently catalyzes hydration of nitriles.

Journal: Journal of the American Chemical Society 20120411

Title: An approach to the chemotaxonomic differentiation of two European dog's mercury species: Mercurialis annua L. and M. perennis L.

Journal: Chemistry & biodiversity 20120201

Title: Bis(O-ethyl dithio-carbonato-κS,S')bis-(pyridine-3-carbonitrile-κN)nickel(II).

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives.

Journal: Acta poloniae pharmaceutica 20120101

Title: A new nitrilase-producing strain named Rhodobacter sphaeroides LHS-305: biocatalytic characterization and substrate specificity.

Journal: Applied biochemistry and biotechnology 20111201

Title: Tetra-kis(3-cyano-pyridine-κN)bis-(thio-cyanato-κN)cobalt(II) 1,4-dioxane disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

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: Characterization of a newly isolated strain Rhodococcus erythropolis ZJB-09149 transforming 2-chloro-3-cyanopyridine to 2-chloronicotinic acid.

Journal: New biotechnology 20111001

Title: Synthesis and anti-microbial activity of some 1- substituted amino-4,6-dimethyl-2-oxo-pyridine-3-carbonitrile derivatives.

Journal: European journal of medicinal chemistry 20111001

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

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

Title: Synthesis of acyclovir and HBG analogues having nicotinonitrile and its 2-methyloxy 1,2,3-triazole.

Journal: Nucleosides, nucleotides & nucleic acids 20110501

Title: High-yield continuous production of nicotinic acid via nitrile hydratase-amidase cascade reactions using cascade CSMRs.

Journal: Enzyme and microbial technology 20110407

Title: Pyridine-3-carboxamidinium chloride.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

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: Cloning, expression and functional analysis of nicotinate dehydrogenase gene cluster from Comamonas testosteroni JA1 that can hydroxylate 3-cyanopyridine.

Journal: Biodegradation 20100701

Title: 6-(4-Amino-phen-yl)-2-eth-oxy-4-(2-thien-yl)nicotinonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20100701

Title: Generation of mutant of Rhodococcus rhodochrous PA-34 through chemical mutagenesis for hyperproduction of nitrile hydratase.

Journal: Acta microbiologica et immunologica Hungarica 20100601

Title: Optimization of 5-vinylaryl-3-pyridinecarbonitriles as PKCtheta inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100315

Title: 6-(4-Bromo-phen-yl)-2-eth-oxy-4-(2,4,5-trimethoxy-phen-yl)nicotinonitrile.

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: 6-(4-Bromo-phen-yl)-2-eth-oxy-4-(4-ethoxy-phen-yl)nicotinonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20100101

Title: New pyridone, thioxopyridine, pyrazolopyridine and pyridine derivatives that modulate inflammatory mediators in stimulated RAW 264.7 murine macrophage.

Journal: European journal of medicinal chemistry 20091101

Title: Fluorescence properties of donor acceptor chromophores on newly synthesized pyridine-3-carbonitriles.

Journal: Journal of fluorescence 20091101

Title: 6-(4-Bromo-phen-yl)-2-eth-oxy-4-(2,4,6-trimethoxy-phen-yl)nicotinonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II.

Journal: Bioorganic & medicinal chemistry letters 20091001

Title: Pyridine-3-carbonitrile-chloranilic acid-acetonitrile (2/1/2).

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Purification of a hyperactive nitrile hydratase from resting cells of Rhodococcus rhodochrous PA-34.

Journal: Indian journal of microbiology 20090901

Title: New catalytic liquid-phase ammoxidation approach to the preparation of niacin (vitamin B3).

Journal: Langmuir : the ACS journal of surfaces and colloids 20090707

Title: Optimization of 5-phenyl-3-pyridinecarbonitriles as PKCtheta inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20090701

Title: Synthesis and therapeutic evaluation of pyridyl based novel mTOR inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20090601

Title: Optimization of crucial reaction conditions for the production of nicotinamide by nitrile hydratase using response surface methodology.

Journal: Applied biochemistry and biotechnology 20081201

Title: Design and campaign synthesis of pyridine-based histone deacetylase inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20080415

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: Reactions of sulphate radicals with substituted pyridines: a structure-reactivity correlation analysis.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry 20071203

Title: Cyanopyridyl containing 1,4-dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: improving oral biovailability.

Journal: Bioorganic & medicinal chemistry letters 20071015

Title: Novel synthesis of [1]-benzothiepino[5,4-b]pyridine-3-carbonitriles and their anti-inflammatory properties.

Journal: Bioorganic & medicinal chemistry 20070315

Title: Bench scale conversion of 3-cyanopyidine to nicotinamide using resting cells of Rhodococcus rhodochrous PA-34.

Journal: Indian journal of microbiology 20070301

Title: Isocyanide addition to pyridinium salts. Efficient entry into substituted nicotinonitrile derivatives.

Journal: Organic letters 20061207

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

Journal: Applied microbiology and biotechnology 20061201

Title: Hyperinduction of nitrilases in filamentous fungi.

Journal: Journal of industrial microbiology & biotechnology 20061101

Title: {Fe(3CNpy)2[Cu(3CNpy)(mu-CN)2]2}: a one-dimensional cyanide-based spin-crossover coordination polymer.

Journal: Inorganic chemistry 20060612

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

Journal: Folia microbiologica 20060101

Title: Novel milrinone analogs of pyridine-3-carbonitrile derivatives as promising cardiotonic agents.

Journal: European journal of medicinal chemistry 20051201

Title: Kinetics and mechanisms of the electron transfer reactions of oxo-centred carboxylate bridged complexes, [Fe3(mu3-O)(O2CR)6L3]ClO4, with verdazyl radicals in acetonitrile solution.

Journal: Dalton transactions (Cambridge, England : 2003) 20050421

Title: Electron transfer kinetics and mechanistic study of the thionicotinamide coordinated to the pentacyanoferrate(III)/(II) complexes: a model system for the in vitro activation of thioamides anti-tuberculosis drugs.

Journal: Journal of inorganic biochemistry 20050201

Title: Supramolecular isomerism in spin crossover networks with aurophilic interactions.

Journal: Chemical communications (Cambridge, England) 20041021

Title: Synergy between spin crossover and metallophilicity in triple interpenetrated 3D nets with the NbO structure type.

Journal: Journal of the American Chemical Society 20031126

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

Journal: Chemical communications (Cambridge, England) 20031121

Title: 2-(3-pyridyl)-1,3,8-triazanaphthalene, a product of the catalytic transformation of 3-cyanopyridine.

Journal: Acta crystallographica. Section C, Crystal structure communications 20030901

Title: A rapid and sensitive fluorometric assay method for the determination of nitrilase activity.

Journal: Biotechnology and applied biochemistry 20030601

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: New 3-pyridinecarbonitrile derivatives and their antimicrobial properties.

Journal: Bollettino chimico farmaceutico 20020101

Title: Three-dimensional open frameworks based on cobalt(II) and nickel(II) m-pyridinecarboxylates.

Journal: Inorganic chemistry 20010827

Title: Isolation and characterization of a bacterium possessing a novel aldoxime-dehydration activity and nitrile-degrading enzymes.

Journal: Archives of microbiology 19980801

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