5-methoxy-2-methylpyridine

• ChemBase ID: 236628
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1c(ccc(c1)OC)C
• Canonical SMILES: COc1ccc(nc1)C
• InChI: InChI=1S/C7H9NO/c1-6-3-4-7(9-2)5-8-6/h3-5H,1-2H3
• InChIKey: LPVVVCBDJJRLHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methylpyridine
• IUPAC Traditional name: 5-methoxy-2-methylpyridine
• Synonyms: 5-methoxy-2-methylpyridine

Database IDs

• MDL Number: MFCD09833595
• PubChem SID: 164292538
• PubChem CID: 13358777

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5088388
• LogD (pH = 7.4): 0.725584
• Log P: 0.7292723
• Molar Refractivity: 34.9558 cm^3
• Polarizability: 13.71021 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.564

Product Information

• Purity: 95%