structure of 2-(3-Chloropyridin-4-yl)acetic acid

2-(3-Chloropyridin-4-yl)acetic acid

CAS No.: 1000553-75-2
M. Wt: 171.58
M. Fa: C7H6ClNO2
InChI Key: IMLDUEGVJQGOOV-UHFFFAOYSA-N

Names and Identifiers of 2-(3-Chloropyridin-4-yl)acetic acid

CAS Number

1000553-75-2

MDL Number

MFCD09925438

IUPAC Name

2-(3-chloropyridin-4-yl)acetic acid

InChI

InChI=1S/C7H6ClNO2/c8-6-4-9-2-1-5(6)3-7(10)11/h1-2,4H,3H2,(H,10,11)

InChIKey

IMLDUEGVJQGOOV-UHFFFAOYSA-N

Canonical SMILES

C1=CN=CC(=C1CC(=O)O)Cl

UNSPSC Code

12352100

Physical and chemical properties of 2-(3-Chloropyridin-4-yl)acetic acid

H Bond Acceptors

3

H Bond Donors

1

LogP

0.418200029943848

Molecular Formula

C7H6ClNO2

Molecular Weight

171.58

Safety Information of 2-(3-Chloropyridin-4-yl)acetic acid

Pictograms

Signal Word

 Warning

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

Applications of 2-(3-Chloropyridin-4-yl)acetic acid

2-(3-Chloropyridin-4-yl)acetic acid has several applications in various fields:

  • Pharmaceutical Industry: It serves as an intermediate in the synthesis of bioactive compounds and drugs.
  • Agricultural Chemistry: Potential use as a pesticide or herbicide due to its biological activity.
  • Research Tool: Utilized in studies investigating the mechanisms of action of similar compounds.

Interaction Studies of 2-(3-Chloropyridin-4-yl)acetic acid

Interaction studies involving 2-(3-Chloropyridin-4-yl)acetic acid focus on its binding affinity to various biological targets. These studies help elucidate:

  • Protein-Ligand Interactions: Understanding how this compound interacts with proteins can provide insights into its mechanism of action.
  • Metabolic Pathways: Investigating how this compound is metabolized in biological systems aids in predicting its pharmacokinetics and toxicity.

Biological Activity of 2-(3-Chloropyridin-4-yl)acetic acid

Research into the biological activity of 2-(3-Chloropyridin-4-yl)acetic acid indicates potential pharmacological properties. Compounds with similar structures have been noted for their activity against various biological targets, including:

  • Antimicrobial Activity: Some derivatives exhibit antibacterial properties.
  • Anti-inflammatory Effects: Potential use in reducing inflammation has been explored.
  • Anticancer Properties: Certain studies suggest that compounds related to 2-(3-Chloropyridin-4-yl)acetic acid may have anticancer effects, although specific mechanisms require further investigation.