5-amino-4-methylpyridin-2-ol

• ChemBase ID: 285161
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(cc(c(c1)N)C)O
• Canonical SMILES: Oc1ncc(c(c1)C)N
• InChI: InChI=1S/C6H8N2O/c1-4-2-6(9)8-3-5(4)7/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: WDVHXXCUHYQXJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-4-methylpyridin-2-ol
• IUPAC Traditional name: 5-amino-4-methylpyridin-2-ol
• Synonyms: 5-amino-4-methylpyridin-2-ol

Database IDs

• MDL Number: MFCD08061299
• PubChem SID: 180670692
• PubChem CID: 29919415

CALCULATED PROPERTIES

• Acid pKa: 12.826784
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.73094136
• LogD (pH = 7.4): 0.7309592
• Log P: 0.730961
• Molar Refractivity: 35.9371 cm^3
• Polarizability: 12.947245 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.054

Product Information

• Purity: 95%