2-methylpyridin-4-ol

• ChemBase ID: 67329
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: c1(cc(ccn1)O)C
• Canonical SMILES: Oc1ccnc(c1)C
• InChI: InChI=1S/C6H7NO/c1-5-4-6(8)2-3-7-5/h2-4H,1H3,(H,7,8)
• InChIKey: KZDSIZCJICMHJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyridin-4-ol
• IUPAC Traditional name: 2-methylpyridin-4-ol
• Synonyms: 4-Hydroxy-2-methylpyridine

Database IDs

• CAS Number: 18615-86-6
• PubChem SID: 162033065
• PubChem CID: 140400

CALCULATED PROPERTIES

• Acid pKa: 11.452527
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5774814
• LogD (pH = 7.4): 0.58326304
• Log P: 0.58337826
• Molar Refractivity: 30.4735 cm^3
• Polarizability: 11.794438 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%