3-chloro-6-{[2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridin-5-yl]methyl}pyridazine

• ChemBase ID: 63734
• Molecular Formular: C17H11ClFN5
• Molecular Mass: 339.7541432
• Monoisotopic Mass: 339.06870128
• SMILES: Clc1ccc(nn1)Cn1cc2c(cc1)nc(n2)c1c(cccc1)F
• Canonical SMILES: Clc1ccc(nn1)Cn1ccc2c(c1)nc(n2)c1ccccc1F
• InChI: InChI=1S/C17H11ClFN5/c18-16-6-5-11(22-23-16)9-24-8-7-14-15(10-24)21-17(20-14)12-3-1-2-4-13(12)19/h1-8,10H,9H2
• InChIKey: JQCDICGYKWTMPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-{[2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridin-5-yl]methyl}pyridazine
• IUPAC Traditional name: 3-chloro-6-{[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl}pyridazine
• Synonyms: 5-((6-Chloropyridazin-3-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine

Database IDs

• CAS Number: 1000787-76-7
• MDL Number: MFCD19443922
• PubChem SID: 162029473
• PubChem CID: 59381921

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.952763
• LogD (pH = 7.4): 3.95277
• Log P: 3.95277
• Molar Refractivity: 101.3744 cm^3
• Polarizability: 35.206264 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%