Basic information
- CAS
1261961-58-3- Standard SMILES
N#Cc1ccc(-c2cc(=O)cc[nH]2)cc1- InChIKey
KARZAHRBOAVRFA-UHFFFAOYSA-N- Molecular formula
- C12H8N2O
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.06366288
Names & identifiers
- Preferred name
- 2-(4-Cyanophenyl)-4-hydroxypyridine
- IUPAC
- 4-(4-oxo-1H-pyridin-2-yl)benzonitrile
Names & synonyms
1261961-58-34-(4-oxo-1H-pyridin-2-yl)benzonitrileMFCD183233302-(4-CYANOPHENYL)-4-HYDROXYPYRIDINEDTXSID40692428AKOS0063184812-(4-Cyanophenyl)-4-hydroxypyridine, 95%4-(4-Oxo-1,4-dihydropyridin-2-yl)benzonitrile
Database identifiers
- CAS
1261961-58-3- PubChem CID
- 53229155
- DTXSID
DTXSID40692428
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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