3-aminopyridin-2-ol hydrochloride

• ChemBase ID: 266069
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: c1(ncccc1N)O.Cl
• Canonical SMILES: Nc1cccnc1O.Cl
• InChI: InChI=1S/C5H6N2O.ClH/c6-4-2-1-3-7-5(4)8;/h1-3H,6H2,(H,7,8);1H
• InChIKey: YJQBZFOBZMDVHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyridin-2-ol hydrochloride
• IUPAC Traditional name: 3-aminopyridin-2-ol hydrochloride
• Synonyms: 3-aminopyridin-2-ol hydrochloride

Database IDs

• MDL Number: MFCD15209580
• PubChem SID: 164321979
• PubChem CID: 47002579

CALCULATED PROPERTIES

• Acid pKa: 12.230859
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21753548
• LogD (pH = 7.4): 0.21753325
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.190134 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217 - 219°C
• Hydrophobicity(logP): 0.975

Product Information

• Purity: 95%