6-(2,4-difluorophenyl)pyridazin-3-ol

• ChemBase ID: 114200
• Molecular Formular: C10H6F2N2O
• Molecular Mass: 208.1642464
• Monoisotopic Mass: 208.04481926
• SMILES: c1(c(cc(cc1)F)F)c1nnc(cc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccc(cc1F)F
• InChI: InChI=1S/C10H6F2N2O/c11-6-1-2-7(8(12)5-6)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)
• InChIKey: BAQAZKYBFRTHLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,4-difluorophenyl)pyridazin-3-ol
• IUPAC Traditional name: 6-(2,4-difluorophenyl)pyridazin-3-ol
• Synonyms: 6-(2,4-difluorophenyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD16652686
• PubChem SID: 162100523
• PubChem CID: 33676123

CALCULATED PROPERTIES

• Acid pKa: 8.251151
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.384413
• LogD (pH = 7.4): 2.3287792
• Log P: 2.3851752
• Molar Refractivity: 51.2558 cm^3
• Polarizability: 19.474607 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.271

Product Information

• Purity: 95+%