3-Chloro-2-fluoro-5-iodobenzoic acid
Names and Identifiers of 3-Chloro-2-fluoro-5-iodobenzoic acid
CAS Number |
1000162-09-3 |
|---|---|
MDL Number |
MFCD24107275 |
IUPAC Name |
3-chloro-2-fluoro-5-iodobenzoic acid |
InChI |
InChI=1S/C7H3ClFIO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,(H,11,12) |
InChIKey |
XEKLXXFYOXTQJZ-UHFFFAOYSA-N |
Canonical SMILES |
C1=C(C=C(C(=C1C(=O)O)F)Cl)I |
UNSPSC Code |
12352100 |
Physical and chemical properties of 3-Chloro-2-fluoro-5-iodobenzoic acid
Exact Mass |
299.88500 |
|---|---|
LogP |
2.78190 |
Molecular Formula |
C7H3ClFIO2 |
Molecular Weight |
300.45300 |
PSA |
37.30000 |
Safety Information of 3-Chloro-2-fluoro-5-iodobenzoic acid
Applications of 3-Chloro-2-fluoro-5-iodobenzoic acid
3-Chloro-2-fluoro-5-iodobenzoic acid has several applications across different fields:
- Organic Synthesis: It serves as a building block for synthesizing more complex organic molecules.
- Biological Research: Investigated for potential uses in drug development and as a precursor for pharmaceutical compounds.
- Material Science: Utilized in the production of specialty chemicals and materials due to its unique chemical properties.
Interaction Studies of 3-Chloro-2-fluoro-5-iodobenzoic acid
Interaction studies involving 3-Chloro-2-fluoro-5-iodobenzoic acid have focused on its binding affinity with various enzymes and receptors. These studies aim to elucidate the compound's mechanism of action, which may involve modulation of signaling pathways or inhibition of specific enzymatic activities. Such interactions are critical for understanding its potential therapeutic applications and biological relevance.
Biological Activity of 3-Chloro-2-fluoro-5-iodobenzoic acid
The biological activity of 3-Chloro-2-fluoro-5-iodobenzoic acid is an area of ongoing research. Preliminary studies suggest it may exhibit significant interactions with various biomolecules, potentially acting as an inhibitor for specific enzymes or receptors. The presence of halogens could enhance its binding affinity and specificity, making it a candidate for further investigation in medicinal chemistry.
Physical sample testing spectrum (NMR) of 3-Chloro-2-fluoro-5-iodobenzoic acid
