6-(hydroxymethyl)pyridin-3-ol

• ChemBase ID: 276336
• Molecular Formular: C6H7NO2
• Molecular Mass: 125.12528
• Monoisotopic Mass: 125.04767847
• SMILES: n1c(ccc(c1)O)CO
• Canonical SMILES: OCc1ccc(cn1)O
• InChI: InChI=1S/C6H7NO2/c8-4-5-1-2-6(9)3-7-5/h1-3,8-9H,4H2
• InChIKey: NESFDGDRYVANBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(hydroxymethyl)pyridin-3-ol
• IUPAC Traditional name: 6-(hydroxymethyl)pyridin-3-ol
• Synonyms: 6-(hydroxymethyl)pyridin-3-ol

Database IDs

• MDL Number: MFCD16249568
• PubChem SID: 164332246
• PubChem CID: 419490

CALCULATED PROPERTIES

• Acid pKa: 8.619889
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.31382364
• LogD (pH = 7.4): -0.2600136
• Log P: -0.2338698
• Molar Refractivity: 32.1757 cm^3
• Polarizability: 12.51242 Å^3
• Polar Surface Area: 53.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.344

Product Information

• Purity: 95%