3-methylpyridin-2-ol

• ChemBase ID: 293689
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: Cc1cccnc1O
• Canonical SMILES: Cc1cccnc1O
• InChI: InChI=1S/C6H7NO/c1-5-3-2-4-7-6(5)8/h2-4H,1H3,(H,7,8)
• InChIKey: MVKDNXIKAWKCCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridin-2-ol
• IUPAC Traditional name: 3-methylpyridin-2-ol
• Synonyms: 3-Methylpyridin-2-ol

Database IDs

• CAS Number: 91914-04-4
• MDL Number: MFCD00126917
• PubChem SID: 180679220
• PubChem CID: 70481

CALCULATED PROPERTIES

• Acid pKa: 12.175628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5586249
• LogD (pH = 7.4): 1.5598639
• Log P: 1.5598869
• Molar Refractivity: 31.2367 cm^3
• Polarizability: 11.800974 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%