2-amino-5-methylpyridin-3-ol

• ChemBase ID: 52727
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(c(cc(cn1)C)O)N
• Canonical SMILES: Cc1cnc(c(c1)O)N
• InChI: InChI=1S/C6H8N2O/c1-4-2-5(9)6(7)8-3-4/h2-3,9H,1H3,(H2,7,8)
• InChIKey: NZCYFNHOHNHFBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 20348-17-8
• MDL Number: MFCD09839244
• PubChem SID: 162057490
• PubChem CID: 13900232

CALCULATED PROPERTIES

• Acid pKa: 9.711169
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6231742
• LogD (pH = 7.4): 0.43823865
• Log P: 0.730961
• Molar Refractivity: 35.9371 cm^3
• Polarizability: 12.946755 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%