(5-aminopyridin-2-yl)methanol

• ChemBase ID: 810655
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: C(O)c1ncc(cc1)N
• Canonical SMILES: OCc1ccc(cn1)N
• InChI: InChI=1S/C6H8N2O/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4,7H2
• InChIKey: FLSFZTQIYGDVFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-aminopyridin-2-yl)methanol
• IUPAC Traditional name: (5-aminopyridin-2-yl)methanol
• Synonyms: (5-AMINOPYRIDIN-2-YL)METHANOL

Database IDs

• CAS Number: 873651-92-4

CALCULATED PROPERTIES

• Acid pKa: 14.363687
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9764235
• LogD (pH = 7.4): -0.76284856
• Log P: -0.75923043
• Molar Refractivity: 34.8952 cm^3
• Polarizability: 13.030452 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%