structure of 2-(4-Fluoropyridin-2-yl)acetonitrile

2-(4-Fluoropyridin-2-yl)acetonitrile

CAS No.: 1000504-35-7
M. Wt: 136.12600
M. Fa: C7H5FN2
InChI Key: LQGRHTVMEHLBMT-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 2-(4-Fluoropyridin-2-yl)acetonitrile

CAS Number

1000504-35-7

MDL Number

MFCD09924401

IUPAC Name

2-(4-fluoropyridin-2-yl)acetonitrile

InChI

InChI=1S/C7H5FN2/c8-6-2-4-10-7(5-6)1-3-9/h2,4-5H,1H2

InChIKey

LQGRHTVMEHLBMT-UHFFFAOYSA-N

Canonical SMILES

C1=CN=C(C=C1F)CC#N

UNSPSC Code

12352100

Physical and chemical properties of 2-(4-Fluoropyridin-2-yl)acetonitrile

Exact Mass

136.04400

LogP

1.28678

Molecular Formula

C7H5FN2

Molecular Weight

136.12600

PSA

36.68000

Storage condition

under inert gas (nitrogen or Argon) at 2-8°C

Safety Information of 2-(4-Fluoropyridin-2-yl)acetonitrile

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 2-(4-Fluoropyridin-2-yl)acetonitrile

2-(4-Fluoropyridin-2-yl)acetonitrile finds applications across various fields:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of potential drug candidates, particularly those targeting microbial infections or cancer.
  • Agrochemicals: The compound is utilized in developing agrochemicals due to its biological activity against pests and pathogens.
  • Material Science: It is also explored for its utility in synthesizing materials with specific electronic or optical properties.

Interaction Studies of 2-(4-Fluoropyridin-2-yl)acetonitrile

Studies on 2-(4-Fluoropyridin-2-yl)acetonitrile have focused on its interactions with various biological targets. The fluorine atom's presence modifies the electronic properties of the molecule, affecting how it interacts with enzymes or receptors involved in disease pathways. Research is ongoing to elucidate these interactions further, which could lead to novel therapeutic agents.

Biological Activity of 2-(4-Fluoropyridin-2-yl)acetonitrile

Research indicates that 2-(4-Fluoropyridin-2-yl)acetonitrile possesses notable biological activities. It has been studied for its potential antimicrobial properties and may also exhibit anticancer activity. The mechanism of action involves interactions with specific biological targets, where the electron-withdrawing effect of the fluorine atom can enhance binding affinity and reactivity towards enzymes or receptors. This property makes it a candidate for further exploration in pharmaceutical development.