2-chloro-5-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyridine

• ChemBase ID: 86383
• Molecular Formular: C13H6Cl3N3O
• Molecular Mass: 326.56524
• Monoisotopic Mass: 324.95764487
• SMILES: n1c(c2cnc(cc2)Cl)onc1c1c(cccc1Cl)Cl
• Canonical SMILES: Clc1ccc(cn1)c1onc(n1)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C13H6Cl3N3O/c14-8-2-1-3-9(15)11(8)12-18-13(20-19-12)7-4-5-10(16)17-6-7/h1-6H
• InChIKey: HHKYWMZAEORKRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01765350
• PubChem SID: 162073499
• PubChem CID: 2798673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.952515
• LogD (pH = 7.4): 4.9525156
• Log P: 4.9525156
• Molar Refractivity: 100.5056 cm^3
• Polarizability: 30.872234 Å^3
• Polar Surface Area: 51.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true