6-chloro-N-(4-fluorophenyl)pyridazin-3-amine

• ChemBase ID: 114532
• Molecular Formular: C10H7ClFN3
• Molecular Mass: 223.6340832
• Monoisotopic Mass: 223.03125314
• SMILES: n1nc(Cl)ccc1Nc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)Nc1ccc(nn1)Cl
• InChI: InChI=1S/C10H7ClFN3/c11-9-5-6-10(15-14-9)13-8-3-1-7(12)2-4-8/h1-6H,(H,13,15)
• InChIKey: UVVVTPYVJRKXIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(4-fluorophenyl)pyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-(4-fluorophenyl)pyridazin-3-amine
• Synonyms: 6-chloro-N-(4-fluorophenyl)pyridazin-3-amine

Database IDs

• MDL Number: MFCD11204793
• PubChem SID: 162100617
• PubChem CID: 43090246

CALCULATED PROPERTIES

• Acid pKa: 15.313151
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7770944
• LogD (pH = 7.4): 2.7771103
• Log P: 2.7771106
• Molar Refractivity: 58.6466 cm^3
• Polarizability: 20.935318 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.849

Product Information

• Purity: 95+%