Home Pyridines 100367-56-4
100367-56-4,MFCD11046297
Catalog No.:AA0001NX
100367-56-4 | 3-Pyridinecarbonitrile, 1,4-dihydro-4-oxo-
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250mg
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1g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001NX
Chemical Name:
3-Pyridinecarbonitrile, 1,4-dihydro-4-oxo-
CAS Number:
100367-56-4
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD11046297
IUPAC Name:
4-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-3-5-4-8-2-1-6(5)9/h1-2,4H,(H,8,9)
InChI Key:
ZSGWFOMHWZIAEW-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]cc1C#N
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
4-Hydroxynicotinonitrile 
4-oxo-1,4-dihydropyridine-3-carbonitrile 
4- Hydroxynicotinonitrile 
4-hydroxy-3-cyanopyridine 
AC1MV2P5 
SCHEMBL2928918 
SCHEMBL13223327 
CTK7H2913 
Nicotinonitrile,4-hydroxy-(7ci) 
ZSGWFOMHWZIAEW-UHFFFAOYSA-N 
3-Pyridinecarbonitrile, 4-hydroxy- 
ACT10532 
89324-16-3 
ANW-48066 
MFCD00955749 
MFCD11046297 
ZINC15767237 
AKOS005199083 
AKOS006309976 
CM10064 
MB01597 
RP19354 
4-HYDROXYPYRIDINE-3-CARBONITRILE 
100367-56-4 
AJ-67857 
AS-37880 
BR-43112 
4-oxidanylidene-1H-pyridine-3-carbonitrile 
DB-078384 
3-Pyridinecarbonitrile, 1,4-dihydro-4-oxo- 
FT-0082795 
FT-0630045 
ST24029196 
W9224 
4-oxo-1H-pyridine-3-carbonitrile 
S-7067 
X-2687 
A843127 
J-515525 
C6H4N2O 
CID3676692 
4-oxo-1,4-dihydro-pyridine-3-carbonitrile 
4-Hydroxy-1,4-dihydropyridine-3-carbonitrile 
Nicotinonitrile, 4-hydroxy- (7CI) 
PubChem13974 
4-hydroxy-nicotinonitrile 
Literature
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