5-methoxy-6-methylpyridin-2-ol

• ChemBase ID: 815629
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: n1c(ccc(c1C)OC)O
• Canonical SMILES: Cc1nc(O)ccc1OC
• InChI: InChI=1S/C7H9NO2/c1-5-6(10-2)3-4-7(9)8-5/h3-4H,1-2H3,(H,8,9)
• InChIKey: QACVVJNJAFZAFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-6-methylpyridin-2-ol
• IUPAC Traditional name: 5-methoxy-6-methylpyridin-2-ol
• Synonyms: 5-methoxy-6-methylpyridin-2-ol

Database IDs

• CAS Number: 33252-69-6

CALCULATED PROPERTIES

• Acid pKa: 11.922921
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.019343
• LogD (pH = 7.4): 1.0201412
• Log P: 1.0201645
• Molar Refractivity: 37.2502 cm^3
• Polarizability: 14.334728 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%