3-methoxy-2-methylpyridin-4-ol

• ChemBase ID: 798886
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: n1c(c(c(cc1)O)OC)C
• Canonical SMILES: COc1c(O)ccnc1C
• InChI: InChI=1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)
• InChIKey: GNWSQENQZGWCSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methylpyridin-4-ol
• IUPAC Traditional name: 3-methoxy-2-methylpyridin-4-ol
• Synonyms: 3-methoxy-2-methyl-pyridin-4-ol

Database IDs

• CAS Number: 53603-11-5

CALCULATED PROPERTIES

• Acid pKa: 10.764997
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.41842926
• LogD (pH = 7.4): 0.42541456
• Log P: 0.42570698
• Molar Refractivity: 36.9367 cm^3
• Polarizability: 14.331013 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%