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

C8H4ClIN2O — CID 112571847

IUPAC3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccccc2I)n1
InChIInChI=1S/C8H4ClIN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H
InChIKeyJHIRVDOCQHNOEW-UHFFFAOYSA-N
MW306.49 g/mol
LogP2.99
Rot. Bonds1

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

3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole (PubChem CID 112571847) has the molecular formula C8H4ClIN2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
PubChem CID112571847
Molecular FormulaC8H4ClIN2O
Molecular Weight306.49 g/mol
Exact Mass305.91
IUPAC Name3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
SMILESClc1noc(-c2ccccc2I)n1
InChIInChI=1S/C8H4ClIN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H
InChIKeyJHIRVDOCQHNOEW-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 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole (CID 112571847) is 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole is Clc1noc(-c2ccccc2I)n1.
What is the InChIKey of 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole?
The InChIKey is JHIRVDOCQHNOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN2O/c9-8-11-7(13-12-8)5-3-1-2-4-6(5)10/h1-4H.
What are the key properties of 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole?
3-chloro-5-(2-iodophenyl)-1,2,4-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 3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112571847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).