5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C13H7Cl2N3O — CID 699599

IUPAC5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C13H7Cl2N3O/c14-9-3-4-10(11(15)6-9)13-17-12(18-19-13)8-2-1-5-16-7-8/h1-7H
InChIKeyWOJOIMICVQRYPK-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.11
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 699599) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID699599
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.12 g/mol
Exact Mass291.00
IUPAC Name5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(-c3cccnc3)no2)c(Cl)c1
InChIInChI=1S/C13H7Cl2N3O/c14-9-3-4-10(11(15)6-9)13-17-12(18-19-13)8-2-1-5-16-7-8/h1-7H
InChIKeyWOJOIMICVQRYPK-UHFFFAOYSA-N
XLogP4.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 699599) is 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is Clc1ccc(-c2nc(-c3cccnc3)no2)c(Cl)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is WOJOIMICVQRYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-9-3-4-10(11(15)6-9)13-17-12(18-19-13)8-2-1-5-16-7-8/h1-7H.
What are the key properties of 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 292.12 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 699599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).