2-(4-chlorophenyl)pyridine

• ChemBase ID: 288085
• Molecular Formular: C11H8ClN
• Molecular Mass: 189.64092
• Monoisotopic Mass: 189.03452694
• SMILES: Clc1ccc(c2ncccc2)cc1
• Canonical SMILES: Clc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C11H8ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
• InChIKey: WHXIEVDMCNQVOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)pyridine
• IUPAC Traditional name: 2-(4-chlorophenyl)pyridine
• Synonyms: 2-(4-Chlorophenyl)pyridine

Database IDs

• CAS Number: 5969-83-5
• PubChem SID: 180673616
• PubChem CID: 2757849

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3590863
• LogD (pH = 7.4): 3.3922527
• Log P: 3.3926938
• Molar Refractivity: 53.4701 cm^3
• Polarizability: 22.284992 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%