4,6-dibromo-2,1,3-benzoselenadiazole

C6H2Br2N2Se — CID 14029992

IUPAC4,6-dibromo-2,1,3-benzoselenadiazole
SMILESBrc1cc(Br)c2n[se]nc2c1
InChIInChI=1S/C6H2Br2N2Se/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKeyASVIXJIAUKWGKM-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.21
Rot. Bonds

About 4,6-dibromo-2,1,3-benzoselenadiazole

4,6-dibromo-2,1,3-benzoselenadiazole (PubChem CID 14029992) has the molecular formula C6H2Br2N2Se and a molecular weight of 340.86 g/mol. Its IUPAC name is 4,6-dibromo-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name4,6-dibromo-2,1,3-benzoselenadiazole
PubChem CID14029992
Molecular FormulaC6H2Br2N2Se
Molecular Weight340.86 g/mol
Exact Mass339.77
IUPAC Name4,6-dibromo-2,1,3-benzoselenadiazole
SMILESBrc1cc(Br)c2n[se]nc2c1
InChIInChI=1S/C6H2Br2N2Se/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H
InChIKeyASVIXJIAUKWGKM-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,1,3-benzoselenadiazole?
The IUPAC name of 4,6-dibromo-2,1,3-benzoselenadiazole (CID 14029992) is 4,6-dibromo-2,1,3-benzoselenadiazole.
What is the SMILES notation for 4,6-dibromo-2,1,3-benzoselenadiazole?
The canonical SMILES for 4,6-dibromo-2,1,3-benzoselenadiazole is Brc1cc(Br)c2n[se]nc2c1.
What is the InChIKey of 4,6-dibromo-2,1,3-benzoselenadiazole?
The InChIKey is ASVIXJIAUKWGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2Se/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H.
What are the key properties of 4,6-dibromo-2,1,3-benzoselenadiazole?
4,6-dibromo-2,1,3-benzoselenadiazole has a molecular weight of 340.86 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,1,3-benzoselenadiazole is sourced from PubChem (CID 14029992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).