3-amino-5-methylpyridin-2-ol hydrochloride

• ChemBase ID: 290374
• Molecular Formular: C6H9ClN2O
• Molecular Mass: 160.60146
• Monoisotopic Mass: 160.0403406
• SMILES: Oc1ncc(C)cc1N.Cl
• Canonical SMILES: Cc1cnc(c(c1)N)O.Cl
• InChI: InChI=1S/C6H8N2O.ClH/c1-4-2-5(7)6(9)8-3-4;/h2-3H,7H2,1H3,(H,8,9);1H
• InChIKey: WPQPUYHSDVKBRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1257665-07-8
• PubChem SID: 180675905
• PubChem CID: 53217431

CALCULATED PROPERTIES

• Acid pKa: 12.669137
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7309513
• LogD (pH = 7.4): 0.7309586
• Log P: 0.730961
• Molar Refractivity: 35.9371 cm^3
• Polarizability: 12.949883 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%