5-amino-3-methylpyridin-2-ol

• ChemBase ID: 807336
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(c(cc(c1)N)C)O
• Canonical SMILES: Nc1cnc(c(c1)C)O
• InChI: InChI=1S/C6H8N2O/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: YPTFRBRYRPFHOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-3-methylpyridin-2-ol
• IUPAC Traditional name: 5-amino-3-methylpyridin-2-ol
• Synonyms: 5-AMINO-3-METHYL-PYRIDIN-2-OL

Database IDs

• CAS Number: 20252-07-7

CALCULATED PROPERTIES

• Acid pKa: 13.18352
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.730944
• LogD (pH = 7.4): 0.73096013
• Log P: 0.730961
• Molar Refractivity: 35.9371 cm^3
• Polarizability: 12.949445 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%