6-(2,6-difluorophenyl)pyridazin-3-amine

• ChemBase ID: 272694
• Molecular Formular: C10H7F2N3
• Molecular Mass: 207.1794864
• Monoisotopic Mass: 207.06080368
• SMILES: c1(c2nnc(N)cc2)c(F)cccc1F
• Canonical SMILES: Fc1cccc(c1c1ccc(nn1)N)F
• InChI: InChI=1S/C10H7F2N3/c11-6-2-1-3-7(12)10(6)8-4-5-9(13)15-14-8/h1-5H,(H2,13,15)
• InChIKey: CAJOOUCAUURNBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16860046
• PubChem SID: 164328604
• PubChem CID: 50989709

CALCULATED PROPERTIES

• Acid pKa: 19.565771
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8571197
• LogD (pH = 7.4): 1.8597806
• Log P: 1.8598145
• Molar Refractivity: 53.9753 cm^3
• Polarizability: 19.982807 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.944

Product Information

• Purity: 95%