2-chloro-5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine

• ChemBase ID: 86554
• Molecular Formular: C13H7Cl2N3O
• Molecular Mass: 292.12018
• Monoisotopic Mass: 290.99661722
• SMILES: o1c(nnc1c1ccc(nc1)Cl)c1c(cccc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1nnc(o1)c1ccccc1Cl
• InChI: InChI=1S/C13H7Cl2N3O/c14-10-4-2-1-3-9(10)13-18-17-12(19-13)8-5-6-11(15)16-7-8/h1-7H
• InChIKey: XWHYQRPTRUWYMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
• IUPAC Traditional name: 2-chloro-5-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyridine
• Synonyms: 2-(2-chlorophenyl)-5-(6-chloro-3-pyridyl)-1,3,4-oxadiazole

Database IDs

• MDL Number: MFCD00110659
• PubChem SID: 162073670
• PubChem CID: 2799358

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2148194
• LogD (pH = 7.4): 3.2148201
• Log P: 3.2148201
• Molar Refractivity: 95.7008 cm^3
• Polarizability: 28.937302 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true