3-aminopyridin-4-ol hydrochloride

• ChemBase ID: 256642
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: c1(c(ccnc1)O)N.Cl
• Canonical SMILES: Nc1cnccc1O.Cl
• InChI: InChI=1S/C5H6N2O.ClH/c6-4-3-7-2-1-5(4)8;/h1-3H,6H2,(H,7,8);1H
• InChIKey: KBUMNSNKPJHMKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyridin-4-ol hydrochloride
• IUPAC Traditional name: 3-aminopyridin-4-ol hydrochloride
• Synonyms: 3-aminopyridin-4-ol hydrochloride

Database IDs

• CAS Number: 120256-13-5
• MDL Number: MFCD08752626
• PubChem SID: 164312552
• PubChem CID: 13072296

CALCULATED PROPERTIES

• Acid pKa: 10.871962
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.37980503
• LogD (pH = 7.4): -0.37709892
• Log P: -0.3769179
• Molar Refractivity: 30.5824 cm^3
• Polarizability: 11.184536 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.975

Product Information

• Purity: 95%