3-methoxy-2-methylpyridine

• ChemBase ID: 815892
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1c(c(ncc1)C)OC
• Canonical SMILES: COc1cccnc1C
• InChI: InChI=1S/C7H9NO/c1-6-7(9-2)4-3-5-8-6/h3-5H,1-2H3
• InChIKey: QRCUQLANPHYVEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methylpyridine
• IUPAC Traditional name: 3-methoxy-2-methylpyridine
• Synonyms: 3-METHOXY-2-PICOLINE

Database IDs

• CAS Number: 26395-26-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.35201347
• LogD (pH = 7.4): 0.7213797
• Log P: 0.7292723
• Molar Refractivity: 34.9558 cm^3
• Polarizability: 13.711369 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%