3-amino-6-methylpyridin-2-ol hydrochloride

• ChemBase ID: 290375
• Molecular Formular: C6H9ClN2O
• Molecular Mass: 160.60146
• Monoisotopic Mass: 160.0403406
• SMILES: Oc1nc(C)ccc1N.Cl
• Canonical SMILES: Cc1ccc(c(n1)O)N.Cl
• InChI: InChI=1S/C6H8N2O.ClH/c1-4-2-3-5(7)6(9)8-4;/h2-3H,7H2,1H3,(H,8,9);1H
• InChIKey: WGNMFOVYPHDJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-6-methylpyridin-2-ol hydrochloride
• IUPAC Traditional name: 3-amino-6-methylpyridin-2-ol hydrochloride
• Synonyms: 3-Amino-6-methylpyridin-2-ol hydrochloride

Database IDs

• CAS Number: 1257665-17-0
• PubChem SID: 180675906
• PubChem CID: 53217432

CALCULATED PROPERTIES

• Acid pKa: 12.37952
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34889993
• LogD (pH = 7.4): 0.34890518
• Log P: 0.34890983
• Molar Refractivity: 35.4874 cm^3
• Polarizability: 12.949938 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%