3-amino-5-chloropyridin-2-ol hydrochloride

• ChemBase ID: 290361
• Molecular Formular: C5H6Cl2N2O
• Molecular Mass: 181.01994
• Monoisotopic Mass: 179.98571818
• SMILES: Oc1ncc(Cl)cc1N.Cl
• Canonical SMILES: Clc1cnc(c(c1)N)O.Cl
• InChI: InChI=1S/C5H5ClN2O.ClH/c6-3-1-4(7)5(9)8-2-3;/h1-2H,7H2,(H,8,9);1H
• InChIKey: UIJBMVGLKKCQFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-5-chloropyridin-2-ol hydrochloride
• IUPAC Traditional name: 3-amino-5-chloropyridin-2-ol hydrochloride
• Synonyms: 3-Amino-5-chloropyridin-2-ol hydrochloride

Database IDs

• CAS Number: 1261906-29-9
• PubChem SID: 180675892
• PubChem CID: 53217435

CALCULATED PROPERTIES

• Acid pKa: 11.754042
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8215756
• LogD (pH = 7.4): 0.8215652
• Log P: 0.82158434
• Molar Refractivity: 35.7007 cm^3
• Polarizability: 13.133136 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%