structure of 2-(6-(Trifluoromethyl)pyridin-2-yl)acetonitrile

2-(6-(Trifluoromethyl)pyridin-2-yl)acetonitrile

CAS No.: 1000564-90-8
M. Wt: 186.13400
M. Fa: C8H5F3N2
InChI Key: GGFKLGNJHDHBMS-UHFFFAOYSA-N

Names and Identifiers of 1000564-90-8

CAS Number

1000564-90-8

MDL Number

MFCD09923756

IUPAC Name

2-[6-(trifluoromethyl)pyridin-2-yl]acetonitrile

InChI

InChI=1S/C8H5F3N2/c9-8(10,11)7-3-1-2-6(13-7)4-5-12/h1-3H,4H2

InChIKey

GGFKLGNJHDHBMS-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=NC(=C1)C(F)(F)F)CC#N

UNSPSC Code

12352100

Physical and chemical properties of 1000564-90-8

Exact Mass

186.04000

H Bond Acceptors

2

H Bond Donors

0

LogP

2.16648

Molecular Formula

C8H5F3N2

Molecular Weight

186.13400

PSA

36.68000

Storage condition

2-8°C

Safety Information of 1000564-90-8

Pictograms

Signal Word

 Warning

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

Applications of 1000564-90-8

The unique properties of 2-(6-(Trifluoromethyl)pyridin-2-yl)acetonitrile make it suitable for various applications:

  • Pharmaceutical Development: Its structure is utilized as a building block for drug candidates targeting various diseases.
  • Agrochemical Formulations: It serves as an active ingredient in pesticides and herbicides due to its enhanced bioactivity.
  • Material Science: The compound may find applications in developing advanced materials with specific electronic properties.

Interaction Studies of 1000564-90-8

Studies on the interactions of 2-(6-(Trifluoromethyl)pyridin-2-yl)acetonitrile with biological targets reveal its potential mechanisms of action:

  • Receptor Binding Studies: Research indicates that this compound may interact with specific receptors involved in cellular signaling pathways.
  • Enzyme Inhibition: It has been shown to inhibit certain enzymes relevant to disease processes, which could lead to therapeutic applications.

Biological Activity of 1000564-90-8

Compounds containing the trifluoromethylpyridine structure are known for their diverse biological activities. Research indicates that 2-(6-(Trifluoromethyl)pyridin-2-yl)acetonitrile exhibits:

  • Antimicrobial Properties: Similar compounds have shown efficacy against various bacterial strains.
  • Insecticidal Activity: The trifluoromethyl group enhances the potency of agrochemicals derived from this scaffold, making them effective in pest control.
  • Potential Anticancer Activity: Some derivatives have been investigated for their ability to inhibit cancer cell proliferation.