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

• ChemBase ID: 114177
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: n1nc(ccc1c1cc(OC)ccc1)O
• Canonical SMILES: COc1cccc(c1)c1ccc(nn1)O
• InChI: InChI=1S/C11H10N2O2/c1-15-9-4-2-3-8(7-9)10-5-6-11(14)13-12-10/h2-7H,1H3,(H,13,14)
• InChIKey: UOQOBALQFJEZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14707060
• PubChem SID: 162099293
• PubChem CID: 12726870

CALCULATED PROPERTIES

• Acid pKa: 8.442306
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9415878
• LogD (pH = 7.4): 1.9049145
• Log P: 1.9421
• Molar Refractivity: 57.2862 cm^3
• Polarizability: 22.623173 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.923

Product Information

• Purity: 95+%