6-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-b]pyridine

• ChemBase ID: 613244
• Molecular Formular: C13H8F3N3O
• Molecular Mass: 279.2173296
• Monoisotopic Mass: 279.06194655
• SMILES: c12[nH]cnc2cc(c2c(OC(F)(F)F)cccc2)cn1
• Canonical SMILES: FC(Oc1ccccc1c1cnc2c(c1)nc[nH]2)(F)F
• InChI: InChI=1S/C13H8F3N3O/c14-13(15,16)20-11-4-2-1-3-9(11)8-5-10-12(17-6-8)19-7-18-10/h1-7H,(H,17,18,19)
• InChIKey: PJGWJIBTKJNDRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 6-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-b]pyridine
• Synonyms: 6-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.691467
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4869123
• LogD (pH = 7.4): 3.4876015
• Log P: 3.4876306
• Molar Refractivity: 60.9707 cm^3
• Polarizability: 25.732893 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.64
• LOG S: -3.49
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 3