2-(3-Cyanophenyl)-4-hydroxypyridine
Basic information
- CAS
1261997-65-2- Standard SMILES
N#Cc1cccc(-c2cc(=O)cc[nH]2)c1- InChIKey
KQAMMKYVYNNWPJ-UHFFFAOYSA-N- Molecular formula
- C12H8N2O
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.06366288
Names & identifiers
- Preferred name
- 2-(3-Cyanophenyl)-4-hydroxypyridine
- IUPAC
- 3-(4-oxo-1H-pyridin-2-yl)benzonitrile
Names & synonyms
1261997-65-23-(4-oxo-1H-pyridin-2-yl)benzonitrile2-(3-CYANOPHENYL)-4-HYDROXYPYRIDINEDTXSID60692425MFCD18323327AKOS0063184792-(3-Cyanophenyl)-4-hydroxypyridine, 95%3-(4-Oxo-1,4-dihydropyridin-2-yl)benzonitrile
Database identifiers
- CAS
1261997-65-2- PubChem CID
- 53229151
- DTXSID
DTXSID60692425
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
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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