2-(2,5-difluorophenyl)-5-(1H-imidazol-1-ylmethyl)pyridine

• ChemBase ID: 483118
• Molecular Formular: C15H11F2N3
• Molecular Mass: 271.2647464
• Monoisotopic Mass: 271.09210381
• SMILES: c1(c2ncc(Cn3cncc3)cc2)c(ccc(c1)F)F
• Canonical SMILES: Fc1ccc(c(c1)c1ccc(cn1)Cn1ccnc1)F
• InChI: InChI=1S/C15H11F2N3/c16-12-2-3-14(17)13(7-12)15-4-1-11(8-19-15)9-20-6-5-18-10-20/h1-8,10H,9H2
• InChIKey: SVYOLZWVTZYIDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-difluorophenyl)-5-(1H-imidazol-1-ylmethyl)pyridine
• IUPAC Traditional name: 2-(2,5-difluorophenyl)-5-(imidazol-1-ylmethyl)pyridine
• Synonyms: 2-(2,5-difluorophenyl)-5-(1H-imidazol-1-ylmethyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.372193
• LogD (pH = 7.4): 2.8401759
• Log P: 2.903732
• Molar Refractivity: 71.5622 cm^3
• Polarizability: 27.858953 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: 2.47
• LOG S: -3.29
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3