structure of 5-Nitro-4-(trifluoromethyl)pyridin-2-amine

5-Nitro-4-(trifluoromethyl)pyridin-2-amine

CAS No.: 1000152-83-9
M. Wt: 207.11000
M. Fa: C6H4F3N3O2
InChI Key: WVKWPMZRKCPVKN-UHFFFAOYSA-N

Names and Identifiers of 1000152-83-9

CAS Number

1000152-83-9

IUPAC Name

5-nitro-4-(trifluoromethyl)pyridin-2-amine

InChI

InChI=1S/C6H4F3N3O2/c7-6(8,9)3-1-5(10)11-2-4(3)12(13)14/h1-2H,(H2,10,11)

InChIKey

WVKWPMZRKCPVKN-UHFFFAOYSA-N

Canonical SMILES

C1=C(C(=CN=C1N)[N+](=O)[O-])C(F)(F)F

Physical and chemical properties of 1000152-83-9

Exact Mass

207.02600

LogP

2.69520

Molecular Formula

C6H4F3N3O2

Molecular Weight

207.11000

PSA

84.73000

Applications of 1000152-83-9

5-Nitro-4-(trifluoromethyl)pyridin-2-amine has several potential applications:

  • Pharmaceuticals: Due to its biological activity, it may serve as a lead compound in drug discovery efforts targeting various diseases.
  • Agrochemicals: Its antimicrobial properties make it suitable for use in agricultural formulations.
  • Materials Science: The compound could be utilized in developing new materials with specific electronic or optical properties.

Interaction Studies of 1000152-83-9

Interaction studies focusing on 5-nitro-4-(trifluoromethyl)pyridin-2-amine often explore its binding affinity and inhibitory effects on various biological targets:

  • Protein-Ligand Interactions: Investigations into how this compound interacts with proteins involved in metabolic pathways can provide insights into its mechanism of action.
  • Structure-Activity Relationship Studies: These studies help elucidate how modifications to the structure impact biological activity, guiding further synthetic efforts.

Biological Activity of 1000152-83-9

Research indicates that compounds similar to 5-nitro-4-(trifluoromethyl)pyridin-2-amine exhibit various biological activities, including:

  • Antimicrobial Properties: Some derivatives demonstrate effectiveness against bacterial strains and fungi.
  • Anticancer Activity: Certain studies suggest potential applications in cancer treatment due to their ability to inhibit specific cellular pathways.
  • Enzyme Inhibition: Compounds in this class may act as inhibitors for enzymes involved in critical biological processes, making them candidates for drug development.

Retrosynthesis analysis of 1000152-83-9

  • Route#1

    Cas:106447-97-6
    Cas:1000152-83-9