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

C8H5BrN2Se — CID 71482569

IUPAC2-(4-bromophenyl)-1,3,4-selenadiazole
SMILESBrc1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C8H5BrN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKeyVGRDWVHXDNNWKU-UHFFFAOYSA-N
MW288.01 g/mol
LogP1.96
Rot. Bonds1

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

2-(4-bromophenyl)-1,3,4-selenadiazole (PubChem CID 71482569) has the molecular formula C8H5BrN2Se and a molecular weight of 288.01 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3,4-selenadiazole
PubChem CID71482569
Molecular FormulaC8H5BrN2Se
Molecular Weight288.01 g/mol
Exact Mass287.88
IUPAC Name2-(4-bromophenyl)-1,3,4-selenadiazole
SMILESBrc1ccc(-c2nnc[se]2)cc1
InChIInChI=1S/C8H5BrN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKeyVGRDWVHXDNNWKU-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.01
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Bromophenyl)-1,3,4-thiadiazole
CID 83824888
2-Methyl-5-(4-bromophenyl)tetrazole
CID 610977
2,5-Di(p-bromphenyl)-1,3,4-selendiazol
CID 21856247
2-(4-Fluorophenyl)-1,3,4-selenadiazole
CID 71482567
2-(4-Bromophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605306
2-(4-Bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 130052536
2-[5-(4-Bromophenyl)tetrazol-2-yl]acetonitrile
CID 8266832
5-(4-Bromophenyl)-2-ethyltetrazole
CID 12056208
5-(4-Bromophenyl)-2-(isocyanomethyl)tetrazole
CID 158886341
5-(4-Bromophenyl)-2-(3-methylbut-2-enyl)tetrazole
CID 8598047
5-(4-Bromophenyl)-2-propyltetrazole
CID 52457456
5-(4-Bromophenyl)-2-(2-methylprop-2-enyl)tetrazole
CID 52494173

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3,4-selenadiazole?
The IUPAC name of 2-(4-bromophenyl)-1,3,4-selenadiazole (CID 71482569) is 2-(4-bromophenyl)-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-bromophenyl)-1,3,4-selenadiazole is Brc1ccc(-c2nnc[se]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,3,4-selenadiazole?
The InChIKey is VGRDWVHXDNNWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2Se/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H.
What are the key properties of 2-(4-bromophenyl)-1,3,4-selenadiazole?
2-(4-bromophenyl)-1,3,4-selenadiazole has a molecular weight of 288.01 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3,4-selenadiazole is sourced from PubChem (CID 71482569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).