Home Pyridines 866049-85-6
866049-85-6,MFCD03305730
Catalog No.:AA00H1XU
866049-85-6 | 4-[(3-FORMYL-2-PYRIDINYL)OXY]BENZENECARBONITRILE
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100mg
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Technical Information
Catalog Number:
AA00H1XU
Chemical Name:
4-[(3-FORMYL-2-PYRIDINYL)OXY]BENZENECARBONITRILE
CAS Number:
866049-85-6
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD03305730
IUPAC Name:
4-(3-formylpyridin-2-yl)oxybenzonitrile
InChI:
InChI=1S/C13H8N2O2/c14-8-10-3-5-12(6-4-10)17-13-11(9-16)2-1-7-15-13/h1-7,9H
InChI Key:
LGFOTXWHBPRDBG-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1Oc1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
4-[(3-Formyl-2-pyridinyl)oxy]benzenecarbonitrile 
866049-85-6 
ZINC1394923 
ZX-AT001403 
1031AF 
MFCD03305730 
SBB096636 
AKOS005070879 
MCULE-3928590236 
OR15206 
RP12957 
4-(3-formylpyridin-2-yl)oxybenzonitrile 
4-[(3-Formylpyridin-2-yl)oxy]benzonitrile 
AJ-25565 
BC4526300 
TR-063680 
4-(3-formyl-2-pyridyloxy)benzenecarbonitrile 
6T-0327 
4-[(3-formyl-2-pyridinyl)oxy]benzenecarbonitrile, AldrichCPR 
C13H8N2O2 
ZINC01394923 
CID1481749 
2-(4-Cyanophenoxy)pyridine-3-carboxaldehyde 
4-((3-Formylpyridin-2-yl)oxy)benzonitrile 
AC1LS3GR 
CTK7I0131 
DTXSID30363231 
2-(4-Cyanophenoxy)nicotinaldehyde 
KS-00001YV6 
Literature
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