N-(3-chlorophenyl)pyridine-2-carboxamide

• ChemBase ID: 312805
• Molecular Formular: C12H9ClN2O
• Molecular Mass: 232.66566
• Monoisotopic Mass: 232.0403406
• SMILES: c1(ccccn1)C(=O)Nc1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)NC(=O)c1ccccn1
• InChI: InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
• InChIKey: SUYUTNCKIOLMAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-chlorophenyl)pyridine-2-carboxamide
• IUPAC Traditional name: N-(3-chlorophenyl)pyridine-2-carboxamide
• Synonyms: VU 0364770

Database IDs

• CAS Number: 61350-00-3

CALCULATED PROPERTIES

• Acid pKa: 12.312679
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.837349
• LogD (pH = 7.4): 2.837348
• Log P: 2.8373532
• Molar Refractivity: 63.8674 cm^3
• Polarizability: 23.913637 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: GluR

Product Information

• Salt Data: Free Base