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5657-63-6 | 3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-
CAS No: 5657-63-6 Catalog No: AG00ECW7 MDL No:MFCD09839283
Product Description
Catalog Number:
AG00ECW7
Chemical Name:
3-Pyridinecarbonitrile,1,2-dihydro-2-oxo-
CAS Number:
5657-63-6
Molecular Formula:
C6H5BrN2O3
Molecular Weight:
233.0195
MDL Number:
MFCD09839283
IUPAC Name:
2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChI Key:
DYUMBFTYRJMAFK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(nc1C)O
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:
2
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
Literature
| Title | Journal |
|---|---|
| CoMFA and CoMSIA studies of 1,2-dihydropyridine derivatives as anticancer agents. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20120501 |
| Absorption enhancement of oligothiophene dyes through the use of a cyanopyridone acceptor group in solution-processed organic solar cells. | Chemical communications (Cambridge, England) 20120211 |
| 5α-reductase inhibitors, antiviral and anti-tumor activities of some steroidal cyanopyridinone derivatives. | International journal of biological macromolecules 20120101 |
| Cyanogenic and non-cyanogenic pyridone glucosides from Acalypha indica (Euphorbiaceae). | Phytochemistry 20090101 |
| Synthesis and biological testing of novel analogues of sydnone as potential antibacterial agents. | Archiv der Pharmazie 20040301 |
| Genotoxic activity of newly synthesized derivatives of cyano-pyridone in murine cells in vivo and in vitro. | TSitologiia i genetika 20040101 |
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