2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole

C8H4ClIN2O — CID 171373730

IUPAC2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(I)c(-c2nnco2)c1
InChIInChI=1S/C8H4ClIN2O/c9-5-1-2-7(10)6(3-5)8-12-11-4-13-8/h1-4H
InChIKeyGLKXASYTXCIKMK-UHFFFAOYSA-N
MW306.49 g/mol
LogP2.99
Rot. Bonds1

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

2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole (PubChem CID 171373730) has the molecular formula C8H4ClIN2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole
PubChem CID171373730
Molecular FormulaC8H4ClIN2O
Molecular Weight306.49 g/mol
Exact Mass305.91
IUPAC Name2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(I)c(-c2nnco2)c1
InChIInChI=1S/C8H4ClIN2O/c9-5-1-2-7(10)6(3-5)8-12-11-4-13-8/h1-4H
InChIKeyGLKXASYTXCIKMK-UHFFFAOYSA-N
XLogP2.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole (CID 171373730) is 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole is Clc1ccc(I)c(-c2nnco2)c1.
What is the InChIKey of 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole?
The InChIKey is GLKXASYTXCIKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN2O/c9-5-1-2-7(10)6(3-5)8-12-11-4-13-8/h1-4H.
What are the key properties of 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole?
2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole has a molecular weight of 306.49 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-iodophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 171373730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).