5-amino-6-methylpyridin-3-ol

• ChemBase ID: 180418
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(c(cc(cn1)O)N)C
• Canonical SMILES: Oc1cnc(c(c1)N)C
• InChI: InChI=1S/C6H8N2O/c1-4-6(7)2-5(9)3-8-4/h2-3,9H,7H2,1H3
• InChIKey: WYTFHCNXBFVNHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-6-methylpyridin-3-ol
• IUPAC Traditional name: 5-amino-6-methylpyridin-3-ol
• Synonyms: 3-Amino-5-hydroxymethylpyridine

Database IDs

• CAS Number: 443649-18-1
• PubChem SID: 164236328
• PubChem CID: 66545384

CALCULATED PROPERTIES

• Acid pKa: 9.43588
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0389612
• LogD (pH = 7.4): -0.28372282
• Log P: -0.24554771
• Molar Refractivity: 35.1739 cm^3
• Polarizability: 12.946804 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true