4,7-dibromo-2,1,3-benzoselenadiazole

C6H2Br2N2Se — CID 631165

IUPAC4,7-dibromo-2,1,3-benzoselenadiazole
SMILESBrc1ccc(Br)c2n[se]nc12
InChIInChI=1S/C6H2Br2N2Se/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKeyMVYRQFKGUCDJAB-UHFFFAOYSA-N
MW340.86 g/mol
LogP2.21
Rot. Bonds

About 4,7-dibromo-2,1,3-benzoselenadiazole

4,7-dibromo-2,1,3-benzoselenadiazole (PubChem CID 631165) has the molecular formula C6H2Br2N2Se and a molecular weight of 340.86 g/mol. Its IUPAC name is 4,7-dibromo-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name4,7-dibromo-2,1,3-benzoselenadiazole
PubChem CID631165
Molecular FormulaC6H2Br2N2Se
Molecular Weight340.86 g/mol
Exact Mass339.77
IUPAC Name4,7-dibromo-2,1,3-benzoselenadiazole
SMILESBrc1ccc(Br)c2n[se]nc12
InChIInChI=1S/C6H2Br2N2Se/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKeyMVYRQFKGUCDJAB-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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Related Compounds

7-bromo-1H-1,2,3-benzotriazole
CID 21707869
4-Bromo-2,1,3-benzothiadiazole
CID 736492
4-Bromo-2,1,3-benzoxadiazole
CID 607823
4,7-Dibromo-2,1,3-benzothiadiazole
CID 626361
5,7-Dibromo-2,1,3-benzothiadiazol-4-amine
CID 768456
5-Bromo-benzo[2,1,3]thiadiazole
CID 2776295
4,7-Dibromo-5,6-difluoro-2,1,3-benzothiadiazole
CID 59523104
4,7-Dibromo-5-fluoro-2,1,3-benzothiadiazole
CID 67515326
4,7-Dibromo-1H-benzo[d][1,2,3]triazole
CID 33778309
6,7-bis(bromanyl)-1~{H}-benzotriazole
CID 67119837
2,1,3-Benzoselenadiazole, 4,6-dibromo-
CID 14029992
4,7-Dibromobenzo[c][1,2,5]oxadiazole
CID 179636

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-2,1,3-benzoselenadiazole?
The IUPAC name of 4,7-dibromo-2,1,3-benzoselenadiazole (CID 631165) is 4,7-dibromo-2,1,3-benzoselenadiazole.
What is the SMILES notation for 4,7-dibromo-2,1,3-benzoselenadiazole?
The canonical SMILES for 4,7-dibromo-2,1,3-benzoselenadiazole is Brc1ccc(Br)c2n[se]nc12.
What is the InChIKey of 4,7-dibromo-2,1,3-benzoselenadiazole?
The InChIKey is MVYRQFKGUCDJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2Se/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H.
What are the key properties of 4,7-dibromo-2,1,3-benzoselenadiazole?
4,7-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 4,7-dibromo-2,1,3-benzoselenadiazole is sourced from PubChem (CID 631165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).