2-methoxy-3-methylpyridine

• ChemBase ID: 810563
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1c(c(ccc1)C)OC
• Canonical SMILES: COc1ncccc1C
• InChI: InChI=1S/C7H9NO/c1-6-4-3-5-8-7(6)9-2/h3-5H,1-2H3
• InChIKey: DVGNYVVFWIWKON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19230-59-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7015009
• LogD (pH = 7.4): 1.7057269
• Log P: 1.7057811
• Molar Refractivity: 35.719 cm^3
• Polarizability: 13.714196 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%