5-aminopyridin-2-ol hydrochloride

• ChemBase ID: 286828
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: Nc1cnc(O)cc1.Cl
• Canonical SMILES: Oc1ccc(cn1)N.Cl
• InChI: InChI=1S/C5H6N2O.ClH/c6-4-1-2-5(8)7-3-4;/h1-3H,6H2,(H,7,8);1H
• InChIKey: MOKAWAGRLDMKNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopyridin-2-ol hydrochloride
• IUPAC Traditional name: 5-aminopyridin-2-ol hydrochloride
• Synonyms: 2-Hydroxy-5-aminopyridine hydrochloride

Database IDs

• CAS Number: 117865-72-2
• PubChem SID: 180672359
• PubChem CID: 2734774

CALCULATED PROPERTIES

• Acid pKa: 12.717351
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21656953
• LogD (pH = 7.4): 0.21752535
• Log P: 0.21753964
• Molar Refractivity: 30.8959 cm^3
• Polarizability: 11.188332 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%