(6-methoxypyridazin-3-yl)methanol

• ChemBase ID: 242272
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1nc(ccc1OC)CO
• Canonical SMILES: OCc1ccc(nn1)OC
• InChI: InChI=1S/C6H8N2O2/c1-10-6-3-2-5(4-9)7-8-6/h2-3,9H,4H2,1H3
• InChIKey: GAODUOUIWBJNQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridazin-3-yl)methanol
• IUPAC Traditional name: (6-methoxypyridazin-3-yl)methanol
• Synonyms: (6-methoxypyridazin-3-yl)methanol

Database IDs

• MDL Number: MFCD14606401
• PubChem SID: 164298182
• PubChem CID: 13227305

CALCULATED PROPERTIES

• Acid pKa: 14.016904
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.47329715
• LogD (pH = 7.4): -0.4732884
• Log P: -0.47328818
• Molar Refractivity: 36.8348 cm^3
• Polarizability: 13.571719 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.936

Product Information

• Purity: 95%