5-methylpyridin-3-ol

• ChemBase ID: 67430
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: c1c(cc(cn1)C)O
• Canonical SMILES: Cc1cncc(c1)O
• InChI: InChI=1S/C6H7NO/c1-5-2-6(8)4-7-3-5/h2-4,8H,1H3
• InChIKey: RYJNCIGFPWGVPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridin-3-ol
• IUPAC Traditional name: 5-methylpyridin-3-ol
• Synonyms: 3-Hydroxy-5-picoline; 5-Methylpyridin-3-ol; 5-Hydroxy-3-picoline; 3-Hydroxy-5-methylpyridine; 5-Methyl-3-pyridinol; 3-Hydroxy-5-methylpyridine; 3-羟基-5-甲基吡啶

Database IDs

• CAS Number: 42732-49-0
• MDL Number: MFCD00661297
• PubChem SID: 162033165
• PubChem CID: 224753

CALCULATED PROPERTIES

• Acid pKa: 9.308434
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59332955
• LogD (pH = 7.4): 0.9507538
• Log P: 0.9654295
• Molar Refractivity: 30.9232 cm^3
• Polarizability: 11.797634 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-140°C; 136-140°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 95+%; 97%