6-methylpyridazin-3-ol

• ChemBase ID: 57364
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1c(nnc(c1)O)C
• Canonical SMILES: Cc1ccc(nn1)O
• InChI: InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8)
• InChIKey: QZWIXLPWMGHDDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridazin-3-ol
• IUPAC Traditional name: 6-methylpyridazin-3-ol
• Synonyms: 6-Methylpyridazin-3-ol; 6-Methylpyridazin-3-ol; 3-Hydroxy-6-methylpyridazine

Database IDs

• CAS Number: 13327-27-0
• MDL Number: MFCD00051575
• PubChem SID: 162062127
• PubChem CID: 83346

CALCULATED PROPERTIES

• Acid pKa: 8.69114
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.19710653
• LogD (pH = 7.4): 0.17667791
• Log P: 0.19806582
• Molar Refractivity: 30.6503 cm^3
• Polarizability: 10.938525 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false