2,6-dichloro-4-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine

• ChemBase ID: 86713
• Molecular Formular: C15H11Cl2N3O3
• Molecular Mass: 352.17214
• Monoisotopic Mass: 351.01774659
• SMILES: o1c(nnc1c1cc(nc(c1)Cl)Cl)c1c(cccc1OC)OC
• Canonical SMILES: COc1cccc(c1c1nnc(o1)c1cc(Cl)nc(c1)Cl)OC
• InChI: InChI=1S/C15H11Cl2N3O3/c1-21-9-4-3-5-10(22-2)13(9)15-20-19-14(23-15)8-6-11(16)18-12(17)7-8/h3-7H,1-2H3
• InChIKey: GFGWTBYJAOIXIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine
• IUPAC Traditional name: 2,6-dichloro-4-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine
• Synonyms: 2,6-dichloro-4-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine

Database IDs

• MDL Number: MFCD02682091
• PubChem SID: 162073829
• PubChem CID: 2800009

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1196547
• LogD (pH = 7.4): 3.119655
• Log P: 3.119655
• Molar Refractivity: 109.6885 cm^3
• Polarizability: 34.07886 Å^3
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true