2-aminopyridin-3-ol hydrochloride

• ChemBase ID: 293497
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: Oc1cccnc1N.Cl
• Canonical SMILES: Oc1cccnc1N.Cl
• InChI: InChI=1S/C5H6N2O.ClH/c6-5-4(8)2-1-3-7-5;/h1-3,8H,(H2,6,7);1H
• InChIKey: JDBGIMMIWMCWEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyridin-3-ol hydrochloride
• IUPAC Traditional name: 2-aminopyridin-3-ol hydrochloride
• Synonyms: 2-Aminopyridin-3-ol hydrochloride; 2-AMINO-PYRIDIN-3-OL HYDROCHLORIDE

Database IDs

• CAS Number: 65407-94-5
• MDL Number: MFCD04114122
• PubChem SID: 180679028
• PubChem CID: 2762798

CALCULATED PROPERTIES

• Acid pKa: 9.601381
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.99246067
• LogD (pH = 7.4): 0.07236483
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.187218 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%