5-(hydroxymethyl)pyridin-2-ol

• ChemBase ID: 60630
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: c1c(ncc(c1)CO)O
• Canonical SMILES: OCc1ccc(nc1)O
• InChI: InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)7-3-5/h1-3,8H,4H2,(H,7,9)
• InChIKey: JLPOBAADYFDVAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(hydroxymethyl)pyridin-2-ol
• IUPAC Traditional name: 5-(hydroxymethyl)pyridin-2-ol
• Synonyms: 5-(Hydroxymethyl)pyridin-2-ol

Database IDs

• MDL Number: MFCD09263739
• PubChem SID: 162026371
• PubChem CID: 12018576

CALCULATED PROPERTIES

• Acid pKa: 11.163224
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.27898508
• LogD (pH = 7.4): 0.27904016
• Log P: 0.27911583
• Molar Refractivity: 33.0114 cm^3
• Polarizability: 12.513923 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false