4-chloro-2-[(2-methoxyphenyl)methoxy]pyridine

• ChemBase ID: 796332
• Molecular Formular: C13H12ClNO2
• Molecular Mass: 249.69288
• Monoisotopic Mass: 249.05565631
• SMILES: n1c(cc(cc1)Cl)OCc1c(cccc1)OC
• Canonical SMILES: COc1ccccc1COc1nccc(c1)Cl
• InChI: InChI=1S/C13H12ClNO2/c1-16-12-5-3-2-4-10(12)9-17-13-8-11(14)6-7-15-13/h2-8H,9H2,1H3
• InChIKey: KIVPMSAFCWKUNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-[(2-methoxyphenyl)methoxy]pyridine
• IUPAC Traditional name: 4-chloro-2-[(2-methoxyphenyl)methoxy]pyridine
• Synonyms: 4-Chloro-2-((2-Methoxybenzyl)oxy)pyridine

Database IDs

• CAS Number: 1346707-12-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3631217
• LogD (pH = 7.4): 3.3632052
• Log P: 3.3632061
• Molar Refractivity: 66.5584 cm^3
• Polarizability: 25.935305 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%