2,6-dichloro-3-phenylpyridine

• ChemBase ID: 795713
• Molecular Formular: C11H7Cl2N
• Molecular Mass: 224.08598
• Monoisotopic Mass: 222.99555459
• SMILES: n1c(c(ccc1Cl)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc(c(n1)Cl)c1ccccc1
• InChI: InChI=1S/C11H7Cl2N/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h1-7H
• InChIKey: MTUMHWPBSOBUCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-phenylpyridine
• IUPAC Traditional name: 2,6-dichloro-3-phenylpyridine
• Synonyms: 2,6-Dichloro-3-phenylpyridine

Database IDs

• CAS Number: 18700-11-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0512424
• LogD (pH = 7.4): 4.0512424
• Log P: 4.0512424
• Molar Refractivity: 60.7695 cm^3
• Polarizability: 24.243572 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%