4-methylpyridin-2-ol

• ChemBase ID: 148698
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: Cc1ccnc(c1)O
• Canonical SMILES: Cc1ccnc(c1)O
• InChI: InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
• InChIKey: YBDRFJXGJQULGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyridin-2-ol
• IUPAC Traditional name: 4-methylpyridin-2-ol
• Synonyms: 4-Methyl-2(1H)-pyridinone; 2-Hydroxy-4-methylpyridine; 2-HYDROXY-4-METHYLPYRIDINE; 2-Hydroxy-4-picoline; 4-Methyl-2-pyridinol; 4-甲基-2(1H)-吡啶酮; 2-羟基-4-甲基吡啶

Database IDs

• CAS Number: 13466-41-6
• EC Number: 000-000-0
• MDL Number: MFCD00134298
• Beilstein Number: 107082
• PubChem SID: 162242873; 24862521
• PubChem CID: 280741

CALCULATED PROPERTIES

• Acid pKa: 11.816542
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5598799
• LogD (pH = 7.4): 1.5598705
• Log P: 1.5598869
• Molar Refractivity: 31.2367 cm^3
• Polarizability: 11.798633 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-131°C; 131-134 °C(lit.)
• Boiling Point: 186-187 °C/12 mmHg(lit.); 186-187°C/12mm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%; 98+%; 99%
• Empirical Formula (Hill Notation): C6H7NO

DETAILS

Sigma Aldrich - 365440

Packaging
1, 5 g in glass bottle