2-(benzyloxy)-6-(chloromethyl)pyridine

• ChemBase ID: 802143
• Molecular Formular: C13H12ClNO
• Molecular Mass: 233.69348
• Monoisotopic Mass: 233.06074169
• SMILES: n1c(cccc1CCl)OCc1ccccc1
• Canonical SMILES: ClCc1cccc(n1)OCc1ccccc1
• InChI: InChI=1S/C13H12ClNO/c14-9-12-7-4-8-13(15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2
• InChIKey: BTLWFHKLUNCRQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-6-(chloromethyl)pyridine
• IUPAC Traditional name: 2-(benzyloxy)-6-(chloromethyl)pyridine
• Synonyms: 2-(BENZYLOXY)-6-(CHLOROMETHYL)PYRIDINE

Database IDs

• CAS Number: 123926-27-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5854428
• LogD (pH = 7.4): 3.5855455
• Log P: 3.5855467
• Molar Refractivity: 64.6351 cm^3
• Polarizability: 25.19366 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%