3-methoxy-5-methylpyridine

• ChemBase ID: 802788
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1cc(cc(c1)C)OC
• Canonical SMILES: COc1cncc(c1)C
• InChI: InChI=1S/C7H9NO/c1-6-3-7(9-2)5-8-4-6/h3-5H,1-2H3
• InChIKey: VLPWXHZDGMUMBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-5-methylpyridine
• IUPAC Traditional name: 3-methoxy-5-methylpyridine
• Synonyms: 3-METHOXY-5-METHYLPYRIDINE

Database IDs

• CAS Number: 78210-42-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9258355
• LogD (pH = 7.4): 1.1082332
• Log P: 1.1113235
• Molar Refractivity: 35.4055 cm^3
• Polarizability: 13.71058 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%