structure of 2-(5-Chloropyridin-2-yl)acetic acid

2-(5-Chloropyridin-2-yl)acetic acid

CAS No.: 1000522-43-9
M. Wt: 171.581
M. Fa: C7H6ClNO2
InChI Key: AUCKAGADUXSVKT-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 2-(5-Chloropyridin-2-yl)acetic acid

CAS Number

1000522-43-9

EC Number

826-295-3

MDL Number

MFCD09925072

IUPAC Name

2-(5-chloropyridin-2-yl)acetic acid

InChI

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

InChIKey

AUCKAGADUXSVKT-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=NC=C1Cl)CC(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 2-(5-Chloropyridin-2-yl)acetic acid

Acidity coefficient

3.81±0.10(Predicted)

Boiling Point

295.9±25.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

171.008713

Flash Point

132.8±23.2 °C

Index of Refraction

1.575

LogP

0.86

Molecular Formula

C7H6ClNO2

Molecular Weight

171.581

PSA

50.19000

Storage condition

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

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 2-(5-Chloropyridin-2-yl)acetic acid

Pictograms

Signal Word

 Warning

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

Applications of 2-(5-Chloropyridin-2-yl)acetic acid

2-(5-Chloropyridin-2-yl)acetic acid has various applications, particularly in medicinal chemistry:

  • Pharmaceutical Development: It is used as a building block for synthesizing biologically active compounds.
  • Research Tool: Its derivatives are employed in studying receptor interactions and biological pathways.
  • Agricultural Chemistry: Potential use in developing agrochemicals due to its biological activity.

Interaction Studies of 2-(5-Chloropyridin-2-yl)acetic acid

Interaction studies involving 2-(5-Chloropyridin-2-yl)acetic acid focus on its binding affinity to various biological targets. Preliminary studies suggest that it may interact with specific receptors, influencing signaling pathways related to metabolic and physiological processes. These interactions are critical for understanding its pharmacological profile and potential therapeutic uses .

Biological Activity of 2-(5-Chloropyridin-2-yl)acetic acid

Research indicates that 2-(5-Chloropyridin-2-yl)acetic acid exhibits notable biological activities. It has been studied for its potential as an agonist for certain receptors, which could make it useful in treating various conditions. Additionally, its structural features suggest possible interactions with biological targets, making it a candidate for further pharmacological studies. The specific mechanisms of action and therapeutic effects are subjects of ongoing research.

Physical sample testing spectrum (NMR) of 2-(5-Chloropyridin-2-yl)acetic acid

Physical sample testing spectrum (NMR) of 2-(5-Chloropyridin-2-yl)acetic acid