2-chloro-6-phenylpyridine

• ChemBase ID: 307277
• Molecular Formular: C11H8ClN
• Molecular Mass: 189.64092
• Monoisotopic Mass: 189.03452694
• SMILES: n1c(c2ccccc2)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)c1ccccc1
• InChI: InChI=1S/C11H8ClN/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H
• InChIKey: YTAGJMFBUAHVDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-phenylpyridine
• IUPAC Traditional name: 2-chloro-6-phenylpyridine
• Synonyms: 2-chloro-6-phenylpyridine

Database IDs

• CAS Number: 13382-54-2
• MDL Number: MFCD01646086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6128666
• LogD (pH = 7.4): 3.612871
• Log P: 3.612871
• Molar Refractivity: 54.5314 cm^3
• Polarizability: 22.353668 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%