3-(3-[(4-Chloro-phenyl)-hydroxy-methyl]-pyridin-4-yl}-benzonitrile

HCID 59205193

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

Related reactions

3 records

Compound notes

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