Basic information
- Standard SMILES
N#Cc1cccc(-c2ccncc2C(O)c2ccc(Cl)cc2)c1- InChIKey
WCOOHVGXWCMOMT-UHFFFAOYSA-N- Molecular formula
- C19H13ClN2O
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.0716407
Names & identifiers
- Preferred name
- 3-(3-[(4-Chloro-phenyl)-hydroxy-methyl]-pyridin-4-yl}-benzonitrile
- IUPAC
- 3-[3-[(4-chlorophenyl)-hydroxymethyl]-4-pyridinyl]benzonitrile
Names & synonyms
3-(3-[(4-chloro-phenyl)-hydroxy-methyl]-pyridin-4-yl}-benzonitrile3-{3-[(4-chloro-phenyl)-hydroxy-methyl]-pyridin-4-yl)-benzonitrile3-{3-[(4-chloro-phenyl)-hydroxy-methyl]-pyridin-4-yl}-benzonitrileSCHEMBL3070210WCOOHVGXWCMOMT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59205193
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
3 records
Compound notes
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