structure of 2-[5-(trifluoromethyl)pyridin-3-yl]acetic acid

2-[5-(trifluoromethyl)pyridin-3-yl]acetic acid

CAS No.: 1000516-17-5
M. Wt: 205.134
M. Fa: C8H6F3NO2
InChI Key: -

Names and Identifiers of 1000516-17-5

CAS Number

1000516-17-5

IUPAC Name

2-[5-(trifluoromethyl)pyridin-3-yl]ethanoic acid

Canonical SMILES

C1=C(C=NC=C1C(F)(F)F)CC(=O)O

Physical and chemical properties of 1000516-17-5

Boiling Point

283.3±35.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

205.035065

Flash Point

125.2±25.9 °C

Index of Refraction

1.475

LogP

0.98

Molecular Formula

C8H6F3NO2

Molecular Weight

205.134

PSA

50.19000

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000516-17-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000516-17-5

3-(Trifluoromethyl)pyridine-5-acetic acid has various applications across different fields:

  • Chemical Research: It serves as a building block for synthesizing more complex molecules, particularly in developing new materials and catalysts.
  • Biological Studies: The compound is utilized in enzyme interaction studies and as a probe for investigating biological pathways.
  • Industrial Uses: It finds application in producing agrochemicals and other specialty chemicals due to its unique properties.

Interaction Studies of 1000516-17-5

Studies on 3-(Trifluoromethyl)pyridine-5-acetic acid have revealed its potential interactions with several biological targets. For instance, its ability to modulate enzyme activity makes it a candidate for further investigation in drug development. Additionally, research indicates that its structural features may enhance selectivity and potency against specific biological pathways, making it valuable in pharmacological applications.

Biological Activity of 1000516-17-5

The biological activities of 3-(Trifluoromethyl)pyridine-5-acetic acid are largely attributed to its unique structure. Compounds in the trifluoromethylpyridine class have demonstrated a broad spectrum of biological activities, including:

  • Antiviral
  • Anti-inflammatory
  • Anticancer
  • Antimicrobial
  • Antidiabetic
  • Antimalarial
  • Anticholinesterase

These activities are believed to stem from the unique physicochemical properties imparted by the fluorine atoms and the pyridine moiety, which facilitate interactions with various biological receptors and pathways.