3-(chloromethyl)-5-methoxypyridine

• ChemBase ID: 814958
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: n1cc(cc(c1)OC)CCl
• Canonical SMILES: ClCc1cncc(c1)OC
• InChI: InChI=1S/C7H8ClNO/c1-10-7-2-6(3-8)4-9-5-7/h2,4-5H,3H2,1H3
• InChIKey: FMZJIXNDAVBBIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromethyl)-5-methoxypyridine
• IUPAC Traditional name: 3-(chloromethyl)-5-methoxypyridine
• Synonyms: 3-(chloromethyl)-5-methoxypyridine

Database IDs

• CAS Number: 1060801-71-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1480013
• LogD (pH = 7.4): 1.1846513
• Log P: 1.1851442
• Molar Refractivity: 40.2312 cm^3
• Polarizability: 15.625808 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%