6-(2-methoxyphenyl)pyridazin-3-ol

• ChemBase ID: 114176
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: n1nc(ccc1c1c(OC)cccc1)O
• Canonical SMILES: COc1ccccc1c1ccc(nn1)O
• InChI: InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-7-11(14)13-12-9/h2-7H,1H3,(H,13,14)
• InChIKey: PCAXLMOUJSXNST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)pyridazin-3-ol
• IUPAC Traditional name: 6-(2-methoxyphenyl)pyridazin-3-ol
• Synonyms: 6-(2-methoxyphenyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD14707065
• PubChem SID: 162099292
• PubChem CID: 14435155

CALCULATED PROPERTIES

• Acid pKa: 8.316996
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9414427
• LogD (pH = 7.4): 1.8931885
• Log P: 1.9421
• Molar Refractivity: 57.2862 cm^3
• Polarizability: 22.62659 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.884

Product Information

• Purity: 95+%