(3-aminopyridin-2-yl)methanol

• ChemBase ID: 810661
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(c(ccc1)N)CO
• Canonical SMILES: OCc1ncccc1N
• InChI: InChI=1S/C6H8N2O/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4,7H2
• InChIKey: HNCSVMNWPGRJKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopyridin-2-yl)methanol
• IUPAC Traditional name: (3-aminopyridin-2-yl)methanol
• Synonyms: 3-AMINO-2-(HYDROXYMETHYL)PYRIDINE

Database IDs

• CAS Number: 52378-63-9

CALCULATED PROPERTIES

• Acid pKa: 14.187364
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9538629
• LogD (pH = 7.4): -0.7623752
• Log P: -0.75923043
• Molar Refractivity: 34.8952 cm^3
• Polarizability: 13.03081 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%