2,6-dichloro-4-{5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}pyridine

• ChemBase ID: 96663
• Molecular Formular: C14H6Cl2F3N3O2
• Molecular Mass: 376.1175496
• Monoisotopic Mass: 374.97891647
• SMILES: o1c(nnc1c1cc(nc(c1)Cl)Cl)c1c(cccc1)OC(F)(F)F
• Canonical SMILES: Clc1nc(Cl)cc(c1)c1nnc(o1)c1ccccc1OC(F)(F)F
• InChI: InChI=1S/C14H6Cl2F3N3O2/c15-10-5-7(6-11(16)20-10)12-21-22-13(23-12)8-3-1-2-4-9(8)24-14(17,18)19/h1-6H
• InChIKey: KKJHIXUCSUTXMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-{5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
• IUPAC Traditional name: 2,6-dichloro-4-{5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
• Synonyms: 2-(2,6-dichloro-4-pyridyl)-5-[2-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

Database IDs

• MDL Number: MFCD00111237
• PubChem SID: 162083312
• PubChem CID: 2781882

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.866109
• LogD (pH = 7.4): 4.866109
• Log P: 4.866109
• Molar Refractivity: 99.8324 cm^3
• Polarizability: 30.992346 Å^3
• Polar Surface Area: 61.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true