6-(hydroxymethyl)pyridin-2-ol

• ChemBase ID: 38178
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: c1c(nc(cc1)CO)O
• Canonical SMILES: OCc1cccc(n1)O
• InChI: InChI=1S/C6H7NO2/c8-4-5-2-1-3-6(9)7-5/h1-3,8H,4H2,(H,7,9)
• InChIKey: OCIJNSPIKMBDDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(hydroxymethyl)pyridin-2-ol
• IUPAC Traditional name: 6-(hydroxymethyl)pyridin-2-ol
• Synonyms: 6-(Hydroxymethyl)pyridin-2-ol

Database IDs

• CAS Number: 352514-21-7
• MDL Number: MFCD12028473
• PubChem SID: 161001485
• PubChem CID: 22476551

CALCULATED PROPERTIES

• Acid pKa: 11.084267
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3604504
• LogD (pH = 7.4): 0.3604972
• Log P: 0.36058772
• Molar Refractivity: 32.4892 cm^3
• Polarizability: 12.514985 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