structure of 4-Chloro-2-fluoro-3-iodoaniline

4-Chloro-2-fluoro-3-iodoaniline

CAS No.: 1000590-87-3
M. Wt: 271.45900
M. Fa: C6H4ClFIN
InChI Key: TTXBYEMPQGHABA-UHFFFAOYSA-N

Names and Identifiers of 4-Chloro-2-fluoro-3-iodoaniline

CAS Number

1000590-87-3

IUPAC Name

4-chloro-2-fluoro-3-iodoaniline

InChI

InChI=1S/C6H4ClFIN/c7-3-1-2-4(10)5(8)6(3)9/h1-2H,10H2

InChIKey

TTXBYEMPQGHABA-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C(C(=C1N)F)I)Cl

Physical and chemical properties of 4-Chloro-2-fluoro-3-iodoaniline

Acidity coefficient

1.60±0.10(Predicted)

Boiling Point

301.4±42.0 °C(Predicted)

Density

2.089±0.06 g/cm3(Predicted)

Exact Mass

270.90600

LogP

3.24710

Molecular Formula

C6H4ClFIN

Molecular Weight

271.45900

PSA

26.02000

Applications of 4-Chloro-2-fluoro-3-iodoaniline

4-Chloro-2-fluoro-3-iodoaniline finds applications in various fields:

  • Pharmaceuticals: Its role as a cytochrome P450 inhibitor makes it valuable in drug development, particularly for modifying drug metabolism.
  • Material Science: The compound can be used as a building block for synthesizing advanced materials with specific electronic or optical properties.
  • Agricultural Chemicals: It may serve as an intermediate in the synthesis of agrochemicals or pesticides due to its halogenated structure.

Interaction Studies of 4-Chloro-2-fluoro-3-iodoaniline

Interaction studies involving 4-Chloro-2-fluoro-3-iodoaniline have primarily focused on its metabolic interactions with enzymes. Research indicates that it may significantly alter the metabolism of certain pharmaceuticals by inhibiting key enzymes in the liver, which could lead to increased toxicity or altered efficacy of co-administered drugs. Further studies are needed to elucidate its full interaction profile.

Biological Activity of 4-Chloro-2-fluoro-3-iodoaniline

The biological activity of 4-Chloro-2-fluoro-3-iodoaniline has been explored in various studies. It has been identified as a potential inhibitor of certain cytochrome P450 enzymes, notably CYP1A2, which plays a crucial role in drug metabolism. This inhibition can affect the pharmacokinetics of co-administered drugs, making it significant in medicinal chemistry and pharmacology.