5-Bromo-3-chloro-2-iodobenzonitrile
Names and Identifiers of 5-Bromo-3-chloro-2-iodobenzonitrile
CAS Number |
1000577-40-1 |
|---|---|
MDL Number |
MFCD09800800 |
IUPAC Name |
5-bromo-3-chloro-2-iodobenzonitrile |
InChI |
InChI=1S/C7H2BrClIN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H |
InChIKey |
IBXCHLAUBNJQHQ-UHFFFAOYSA-N |
Canonical SMILES |
N#CC1=CC(Br)=CC(Cl)=C1I |
UNSPSC Code |
12352100 |
Physical and chemical properties of 5-Bromo-3-chloro-2-iodobenzonitrile
Exact Mass |
340.81000 |
|---|---|
LogP |
3.57878 |
Molecular Formula |
C7H2BrClIN |
Molecular Weight |
342.35900 |
PSA |
23.79000 |
Safety Information of 5-Bromo-3-chloro-2-iodobenzonitrile
Applications of 5-Bromo-3-chloro-2-iodobenzonitrile
5-Bromo-3-chloro-2-iodobenzonitrile is utilized in various fields:
- Synthetic Chemistry: As an intermediate in the synthesis of complex organic molecules.
- Pharmaceuticals: Potentially as a building block for drug candidates targeting specific biological pathways.
- Material Science: In the development of new materials with tailored properties due to its unique chemical structure.
Interaction Studies of 5-Bromo-3-chloro-2-iodobenzonitrile
Interaction studies involving 5-Bromo-3-chloro-2-iodobenzonitrile have focused on its ability to bind with specific molecular targets in biological systems. The presence of multiple halogens may facilitate interactions through halogen bonding, enhancing the compound's affinity for certain receptors or enzymes. These interactions are critical for understanding its potential therapeutic effects and guiding further drug development efforts.
Biological Activity of 5-Bromo-3-chloro-2-iodobenzonitrile
Research indicates that 5-Bromo-3-chloro-2-iodobenzonitrile exhibits biological activity, particularly in the context of medicinal chemistry. Its halogenated structure may enhance binding affinity to biological targets, making it a candidate for drug development. Studies have shown that compounds with similar structures can possess antiproliferative activity against various cancer cell lines, suggesting potential therapeutic applications.