3-(benzyloxy)-5-(chloromethyl)pyridine

• ChemBase ID: 801782
• Molecular Formular: C13H12ClNO
• Molecular Mass: 233.69348
• Monoisotopic Mass: 233.06074169
• SMILES: n1cc(cc(c1)CCl)OCc1ccccc1
• Canonical SMILES: ClCc1cncc(c1)OCc1ccccc1
• InChI: InChI=1S/C13H12ClNO/c14-7-12-6-13(9-15-8-12)16-10-11-4-2-1-3-5-11/h1-6,8-9H,7,10H2
• InChIKey: HSTYDEMFGOIXSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-5-(chloromethyl)pyridine
• IUPAC Traditional name: 3-(benzyloxy)-5-(chloromethyl)pyridine
• Synonyms: 3-(BENZYLOXY)-5-(CHLOROMETHYL)PYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8745804
• LogD (pH = 7.4): 2.9091537
• Log P: 2.9096174
• Molar Refractivity: 64.8438 cm^3
• Polarizability: 25.189396 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%