4-bromo-6-fluoro-2,1,3-benzoselenadiazole

C6H2BrFN2Se — CID 14029993

IUPAC4-bromo-6-fluoro-2,1,3-benzoselenadiazole
SMILESFc1cc(Br)c2n[se]nc2c1
InChIInChI=1S/C6H2BrFN2Se/c7-4-1-3(8)2-5-6(4)10-11-9-5/h1-2H
InChIKeyHYOMQBWCQBPZDU-UHFFFAOYSA-N
MW279.96 g/mol
LogP1.59
Rot. Bonds

About 4-bromo-6-fluoro-2,1,3-benzoselenadiazole

4-bromo-6-fluoro-2,1,3-benzoselenadiazole (PubChem CID 14029993) has the molecular formula C6H2BrFN2Se and a molecular weight of 279.96 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,1,3-benzoselenadiazole
PubChem CID14029993
Molecular FormulaC6H2BrFN2Se
Molecular Weight279.96 g/mol
Exact Mass279.86
IUPAC Name4-bromo-6-fluoro-2,1,3-benzoselenadiazole
SMILESFc1cc(Br)c2n[se]nc2c1
InChIInChI=1S/C6H2BrFN2Se/c7-4-1-3(8)2-5-6(4)10-11-9-5/h1-2H
InChIKeyHYOMQBWCQBPZDU-UHFFFAOYSA-N
XLogP1.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 51.59
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-bromo-6-fluoro-2,1,3-benzoselenadiazole?
The IUPAC name of 4-bromo-6-fluoro-2,1,3-benzoselenadiazole (CID 14029993) is 4-bromo-6-fluoro-2,1,3-benzoselenadiazole.
What is the SMILES notation for 4-bromo-6-fluoro-2,1,3-benzoselenadiazole?
The canonical SMILES for 4-bromo-6-fluoro-2,1,3-benzoselenadiazole is Fc1cc(Br)c2n[se]nc2c1.
What is the InChIKey of 4-bromo-6-fluoro-2,1,3-benzoselenadiazole?
The InChIKey is HYOMQBWCQBPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFN2Se/c7-4-1-3(8)2-5-6(4)10-11-9-5/h1-2H.
What are the key properties of 4-bromo-6-fluoro-2,1,3-benzoselenadiazole?
4-bromo-6-fluoro-2,1,3-benzoselenadiazole has a molecular weight of 279.96 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2,1,3-benzoselenadiazole is sourced from PubChem (CID 14029993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).