4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole

C6HBr2FN2Se — CID 140763550

IUPAC4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole
SMILESFc1cc(Br)c2n[se]nc2c1Br
InChIInChI=1S/C6HBr2FN2Se/c7-2-1-3(9)4(8)6-5(2)10-12-11-6/h1H
InChIKeySYJREORHRNUNPK-UHFFFAOYSA-N
MW358.85 g/mol
LogP2.35
Rot. Bonds

About 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole

4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole (PubChem CID 140763550) has the molecular formula C6HBr2FN2Se and a molecular weight of 358.85 g/mol. Its IUPAC name is 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole
PubChem CID140763550
Molecular FormulaC6HBr2FN2Se
Molecular Weight358.85 g/mol
Exact Mass357.77
IUPAC Name4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole
SMILESFc1cc(Br)c2n[se]nc2c1Br
InChIInChI=1S/C6HBr2FN2Se/c7-2-1-3(9)4(8)6-5(2)10-12-11-6/h1H
InChIKeySYJREORHRNUNPK-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole?
The IUPAC name of 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole (CID 140763550) is 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole.
What is the SMILES notation for 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole?
The canonical SMILES for 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole is Fc1cc(Br)c2n[se]nc2c1Br.
What is the InChIKey of 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole?
The InChIKey is SYJREORHRNUNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2FN2Se/c7-2-1-3(9)4(8)6-5(2)10-12-11-6/h1H.
What are the key properties of 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole?
4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole has a molecular weight of 358.85 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-5-fluoro-2,1,3-benzoselenadiazole is sourced from PubChem (CID 140763550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).