Basic information
- CAS
825638-06-0- Standard SMILES
N#Cc1c[nH]c(=O)cc1-c1ccccc1Cl- InChIKey
SFSVAYNBOJWXHO-UHFFFAOYSA-N- Molecular formula
- C12H7ClN2O
- Average molar mass
- 230.65 g/mol
- Monoisotopic mass
- 230.0246905
Names & identifiers
- Preferred name
- 4-(2-Chlorophenyl)-6-oxo-1,6-dihydropyridine-3-carbonitrile
- IUPAC
- 4-(2-chlorophenyl)-6-oxo-1H-pyridine-3-carbonitrile
Names & synonyms
825638-06-0SCHEMBL5561047DTXSID507406464-(2-Chlorophenyl)-6-oxo-1,6-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
825638-06-0- PubChem CID
- 69488587
- DTXSID
DTXSID50740646
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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