(5-aminopyridin-3-yl)methanol

• ChemBase ID: 810597
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1cc(cc(c1)CO)N
• Canonical SMILES: Nc1cc(CO)cnc1
• InChI: InChI=1S/C6H8N2O/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4,7H2
• InChIKey: RKQMHEDPXLDUJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-aminopyridin-3-yl)methanol
• IUPAC Traditional name: (5-aminopyridin-3-yl)methanol
• Synonyms: 3-AMINO-5-HYDROXYMETHYLPYRIDINE

Database IDs

• CAS Number: 443649-18-1

CALCULATED PROPERTIES

• Acid pKa: 14.800322
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0359373
• LogD (pH = 7.4): -0.8440076
• Log P: -0.84070235
• Molar Refractivity: 35.4174 cm^3
• Polarizability: 13.029427 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%