3-chloro-6-(4-fluorophenyl)pyridazine

• ChemBase ID: 114221
• Molecular Formular: C10H6ClFN2
• Molecular Mass: 208.6194432
• Monoisotopic Mass: 208.0203541
• SMILES: n1nc(ccc1c1ccc(cc1)F)Cl
• Canonical SMILES: Fc1ccc(cc1)c1ccc(nn1)Cl
• InChI: InChI=1S/C10H6ClFN2/c11-10-6-5-9(13-14-10)7-1-3-8(12)4-2-7/h1-6H
• InChIKey: LYFFDJDAWPESSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(4-fluorophenyl)pyridazine
• IUPAC Traditional name: 3-chloro-6-(4-fluorophenyl)pyridazine
• Synonyms: 3-chloro-6-(4-fluorophenyl)pyridazine

Database IDs

• CAS Number: 66548-52-5
• MDL Number: MFCD09880368
• PubChem SID: 162099557
• PubChem CID: 6422444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7758
• LogD (pH = 7.4): 2.7758029
• Log P: 2.7758029
• Molar Refractivity: 54.6111 cm^3
• Polarizability: 21.091434 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Partition Coefficient: 3.983
• Hydrophobicity(logP): 2.524

Product Information

• Purity: 95%; 95+%