structure of 4-(Trifluoromethyl)pyrimidine-2-carboxylic acid

4-(Trifluoromethyl)pyrimidine-2-carboxylic acid

CAS No.: 1000931-46-3
M. Wt: 192.09500
M. Fa: C6H3F3N2O2
InChI Key: RYIFBKCEVLTAOZ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000931-46-3

CAS Number

1000931-46-3

EC Number

829-281-5

MDL Number

MFCD09802250

IUPAC Name

4-(trifluoromethyl)pyrimidine-2-carboxylic acid

InChI

InChI=1S/C6H3F3N2O2/c7-6(8,9)3-1-2-10-4(11-3)5(12)13/h1-2H,(H,12,13)

InChIKey

RYIFBKCEVLTAOZ-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C(N=C1C(F)(F)F)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000931-46-3

Exact Mass

192.01500

LogP

1.19360

Molecular Formula

C6H3F3N2O2

Molecular Weight

192.09500

PSA

63.08000

Storage condition

2-8°C

Safety Information of 1000931-46-3

Pictograms

Signal Word

 Warning

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

Applications of 1000931-46-3

This compound has various applications in different fields:

  • Pharmaceutical Industry: Used as an intermediate in the synthesis of biologically active compounds.
  • Agricultural Chemicals: Acts as a building block for agrochemicals, particularly fungicides and herbicides.
  • Material Science: Employed in developing advanced materials due to its unique electronic properties.

Interaction Studies of 1000931-46-3

Interaction studies have shown that 4-(Trifluoromethyl)pyrimidine-2-carboxylic acid interacts with various biological targets, including:

  • Proteins: It can bind to specific sites on enzymes, potentially altering their activity.
  • Nucleic Acids: Some studies suggest that it may interact with DNA or RNA, which could influence gene expression or replication processes.

Biological Activity of 1000931-46-3

4-(Trifluoromethyl)pyrimidine-2-carboxylic acid has shown potential biological activities, including:

  • Antimicrobial Properties: Studies suggest it may inhibit the growth of certain bacteria and fungi.
  • Antiviral Activity: Some derivatives have been evaluated for their effectiveness against viral infections.
  • Enzyme Inhibition: The compound may act as an inhibitor for specific enzymes, which could be useful in drug development.