7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole

C6HBrFN3O2Se — CID 87755170

IUPAC7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole
SMILESO=[N+]([O-])c1c(F)cc(Br)c2n[se]nc12
InChIInChI=1S/C6HBrFN3O2Se/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H
InChIKeyMAMCAEQBAZBTBT-UHFFFAOYSA-N
MW324.96 g/mol
LogP1.50
Rot. Bonds1

About 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole

7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole (PubChem CID 87755170) has the molecular formula C6HBrFN3O2Se and a molecular weight of 324.96 g/mol. Its IUPAC name is 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole
PubChem CID87755170
Molecular FormulaC6HBrFN3O2Se
Molecular Weight324.96 g/mol
Exact Mass324.84
IUPAC Name7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole
SMILESO=[N+]([O-])c1c(F)cc(Br)c2n[se]nc12
InChIInChI=1S/C6HBrFN3O2Se/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H
InChIKeyMAMCAEQBAZBTBT-UHFFFAOYSA-N
XLogP1.50
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.96
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole?
The IUPAC name of 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole (CID 87755170) is 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole.
What is the SMILES notation for 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole?
The canonical SMILES for 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole is O=[N+]([O-])c1c(F)cc(Br)c2n[se]nc12.
What is the InChIKey of 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole?
The InChIKey is MAMCAEQBAZBTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrFN3O2Se/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H.
What are the key properties of 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole?
7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole has a molecular weight of 324.96 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-4-nitro-2,1,3-benzoselenadiazole is sourced from PubChem (CID 87755170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).