2-(4-iodophenyl)-1,3,4-selenadiazole

C8H5IN2Se — CID 71482570

IUPAC2-(4-iodophenyl)-1,3,4-selenadiazole
SMILESIc1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C8H5IN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKeyWPVYNBTTXSRFEV-UHFFFAOYSA-N
MW335.01 g/mol
LogP1.81
Rot. Bonds1

About 2-(4-iodophenyl)-1,3,4-selenadiazole

2-(4-iodophenyl)-1,3,4-selenadiazole (PubChem CID 71482570) has the molecular formula C8H5IN2Se and a molecular weight of 335.01 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-1,3,4-selenadiazole
PubChem CID71482570
Molecular FormulaC8H5IN2Se
Molecular Weight335.01 g/mol
Exact Mass335.87
IUPAC Name2-(4-iodophenyl)-1,3,4-selenadiazole
SMILESIc1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C8H5IN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKeyWPVYNBTTXSRFEV-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.01
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Fluorophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42604461
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
2-(4-Fluorophenyl)-1,3,4-selenadiazole
CID 71482567
2-[4-(Trifluoromethyl)phenyl]-1,3,4-selenadiazole
CID 71482574
2-(2-Fluoro-4-iodophenyl)-1,3,4-thiadiazole
CID 130052539
2-(3-Fluoro-2-iodophenyl)-1,3,4-thiadiazole
CID 130052594
2-(4-Fluoro-2-iodophenyl)-1,3,4-thiadiazole
CID 130052595
2-(5-Fluoro-2-iodophenyl)-1,3,4-thiadiazole
CID 130052596
2-(3-Fluoro-4-iodophenyl)-1,3,4-thiadiazole
CID 130052679
2-(4-Chlorophenyl)-1,3,4-selenadiazole
CID 71482568
2-(4-Bromophenyl)-1,3,4-selenadiazole
CID 71482569
2-(4-Methylphenyl)-1,3,4-selenadiazole
CID 71482573

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1,3,4-selenadiazole?
The IUPAC name of 2-(4-iodophenyl)-1,3,4-selenadiazole (CID 71482570) is 2-(4-iodophenyl)-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-iodophenyl)-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-iodophenyl)-1,3,4-selenadiazole is Ic1ccc(-c2nnc[se]2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-1,3,4-selenadiazole?
The InChIKey is WPVYNBTTXSRFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(4-iodophenyl)-1,3,4-selenadiazole?
2-(4-iodophenyl)-1,3,4-selenadiazole has a molecular weight of 335.01 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1,3,4-selenadiazole is sourced from PubChem (CID 71482570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).