2-(2-chlorobenzoyl)pyridine

• ChemBase ID: 306478
• Molecular Formular: C12H8ClNO
• Molecular Mass: 217.65102
• Monoisotopic Mass: 217.02944156
• SMILES: C(=O)(c1c(Cl)cccc1)c1ncccc1
• Canonical SMILES: Clc1ccccc1C(=O)c1ccccn1
• InChI: InChI=1S/C12H8ClNO/c13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11/h1-8H
• InChIKey: XSPNJXJVXUZKPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorobenzoyl)pyridine
• IUPAC Traditional name: 2-(2-chlorobenzoyl)pyridine
• Synonyms: (2-chlorophenyl)(pyridin-2-yl)methanone

Database IDs

• CAS Number: 1694-57-1
• MDL Number: MFCD07699234

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2044857
• LogD (pH = 7.4): 3.2048173
• Log P: 3.2048213
• Molar Refractivity: 58.9094 cm^3
• Polarizability: 22.95975 Å^3
• Polar Surface Area: 29.96 Å^2