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

• ChemBase ID: 114192
• Molecular Formular: C10H7FN2O
• Molecular Mass: 190.1737832
• Monoisotopic Mass: 190.05424107
• SMILES: n1nc(ccc1c1c(F)cccc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccccc1F
• InChI: InChI=1S/C10H7FN2O/c11-8-4-2-1-3-7(8)9-5-6-10(14)13-12-9/h1-6H,(H,13,14)
• InChIKey: AVFCWMCIFJSTAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16652681
• PubChem SID: 162099037
• PubChem CID: 12449543

CALCULATED PROPERTIES

• Acid pKa: 8.226592
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2416673
• LogD (pH = 7.4): 2.183021
• Log P: 2.2424734
• Molar Refractivity: 51.0394 cm^3
• Polarizability: 19.757996 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.081

Product Information

• Purity: 95+%