2-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-1-ylmethyl)pyridine

• ChemBase ID: 573659
• Molecular Formular: C15H11ClFN3
• Molecular Mass: 287.7193432
• Monoisotopic Mass: 287.06255327
• SMILES: c1(c(cc(cc1)F)Cl)c1ncc(Cn2cncc2)cc1
• Canonical SMILES: Fc1ccc(c(c1)Cl)c1ccc(cn1)Cn1cncc1
• InChI: InChI=1S/C15H11ClFN3/c16-14-7-12(17)2-3-13(14)15-4-1-11(8-19-15)9-20-6-5-18-10-20/h1-8,10H,9H2
• InChIKey: KVADPTSAJGXOCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-1-ylmethyl)pyridine
• IUPAC Traditional name: 2-(2-chloro-4-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine
• Synonyms: 2-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-1-ylmethyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8267426
• LogD (pH = 7.4): 3.3014317
• Log P: 3.3650749
• Molar Refractivity: 76.1506 cm^3
• Polarizability: 30.073675 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.98
• LOG S: -3.85
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3