5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole

C13H6Cl3N3O — CID 97058010

IUPAC5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(-c3ccnc(Cl)c3)n2)c1
InChIInChI=1S/C13H6Cl3N3O/c14-9-3-8(4-10(15)6-9)12-18-13(20-19-12)7-1-2-17-11(16)5-7/h1-6H
InChIKeyKSBSRDGJJNDUOB-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.76
Rot. Bonds2

About 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole

5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole (PubChem CID 97058010) has the molecular formula C13H6Cl3N3O and a molecular weight of 326.57 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
PubChem CID97058010
Molecular FormulaC13H6Cl3N3O
Molecular Weight326.57 g/mol
Exact Mass324.96
IUPAC Name5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
SMILESClc1cc(Cl)cc(-c2noc(-c3ccnc(Cl)c3)n2)c1
InChIInChI=1S/C13H6Cl3N3O/c14-9-3-8(4-10(15)6-9)12-18-13(20-19-12)7-1-2-17-11(16)5-7/h1-6H
InChIKeyKSBSRDGJJNDUOB-UHFFFAOYSA-N
XLogP4.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole (CID 97058010) is 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole is Clc1cc(Cl)cc(-c2noc(-c3ccnc(Cl)c3)n2)c1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
The InChIKey is KSBSRDGJJNDUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3N3O/c14-9-3-8(4-10(15)6-9)12-18-13(20-19-12)7-1-2-17-11(16)5-7/h1-6H.
What are the key properties of 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole?
5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole has a molecular weight of 326.57 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 97058010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).