(4-aminopyridin-2-yl)methanol

• ChemBase ID: 242747
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(cc(N)cc1)CO
• Canonical SMILES: Nc1cc(CO)ncc1
• InChI: InChI=1S/C6H8N2O/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2,(H2,7,8)
• InChIKey: ZBKZWFGHOALGNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminopyridin-2-yl)methanol
• IUPAC Traditional name: (4-aminopyridin-2-yl)methanol
• Synonyms: (4-aminopyridin-2-yl)methanol

Database IDs

• MDL Number: MFCD11100581
• PubChem SID: 164298657
• PubChem CID: 23564158

CALCULATED PROPERTIES

• Acid pKa: 14.248093
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.199835
• LogD (pH = 7.4): -1.7595215
• Log P: -0.75923043
• Molar Refractivity: 34.8952 cm^3
• Polarizability: 13.025995 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -0.27

Product Information

• Purity: 95%