(6-aminopyridin-2-yl)methanol

• ChemBase ID: 804059
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: C(O)c1nc(ccc1)N
• Canonical SMILES: OCc1cccc(n1)N
• InChI: InChI=1S/C6H8N2O/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2,(H2,7,8)
• InChIKey: YGMPMXTWKROXPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-aminopyridin-2-yl)methanol
• IUPAC Traditional name: (6-aminopyridin-2-yl)methanol
• Synonyms: (6-AMINOPYRIDIN-2-YL)METHANOL

Database IDs

• CAS Number: 79651-64-2

CALCULATED PROPERTIES

• Acid pKa: 14.313027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.111794
• LogD (pH = 7.4): -0.20940211
• Log P: -0.16477291
• Molar Refractivity: 35.2087 cm^3
• Polarizability: 13.030158 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%