2-amino-6-methylpyridin-3-ol

• ChemBase ID: 58843
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(ccc(c(n1)N)O)C
• Canonical SMILES: Cc1ccc(c(n1)N)O
• InChI: InChI=1S/C6H8N2O/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3,(H2,7,8)
• InChIKey: WJRVHFJZHFWCMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 20348-16-7
• MDL Number: MFCD09839245
• PubChem SID: 162063606
• PubChem CID: 88500

CALCULATED PROPERTIES

• Acid pKa: 10.068975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3652064
• LogD (pH = 7.4): -0.04282611
• Log P: 0.34890983
• Molar Refractivity: 35.4874 cm^3
• Polarizability: 12.94721 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%