5-amino-6-methylpyridin-2-ol

• ChemBase ID: 807335
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(c(ccc1O)N)C
• Canonical SMILES: Oc1ccc(c(n1)C)N
• InChI: InChI=1S/C6H8N2O/c1-4-5(7)2-3-6(9)8-4/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: ZFZBTVLKTXKODT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-methylpyridin-2-ol
• IUPAC Traditional name: 5-amino-6-methylpyridin-2-ol
• Synonyms: 3-AMINO-6-HYDROXY-2-METHYLPYRIDINE

Database IDs

• CAS Number: 88818-90-0

CALCULATED PROPERTIES

• Acid pKa: 12.89226
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34888932
• LogD (pH = 7.4): 0.34890816
• Log P: 0.34890983
• Molar Refractivity: 35.4874 cm^3
• Polarizability: 12.948851 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%