4-methylpyridin-3-ol

• ChemBase ID: 68100
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: c1c(c(ccn1)C)O
• Canonical SMILES: Cc1ccncc1O
• InChI: InChI=1S/C6H7NO/c1-5-2-3-7-4-6(5)8/h2-4,8H,1H3
• InChIKey: WYOZXMYWGIJYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyridin-3-ol
• IUPAC Traditional name: 4-methylpyridin-3-ol
• Synonyms: 4-Methylpyridin-3-ol; 4-Methylpyridin-3-ol; 3-Hydroxy-4-picoline; 3-Hydroxy-4-methylpyridine

Database IDs

• CAS Number: 1121-19-3
• MDL Number: MFCD04114227
• PubChem SID: 162033832
• PubChem CID: 2762908

CALCULATED PROPERTIES

• Acid pKa: 9.542417
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.37679905
• LogD (pH = 7.4): 0.93841165
• Log P: 0.9654295
• Molar Refractivity: 30.9232 cm^3
• Polarizability: 11.796666 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%