structure of 2-(3-Methoxyphenyl)isonicotinic acid

2-(3-Methoxyphenyl)isonicotinic acid

CAS No.: 100004-95-3
M. Wt: 229.23100
M. Fa: C13H11NO3
InChI Key: CVHWXPCBLBMQDT-UHFFFAOYSA-N

Names and Identifiers of 2-(3-Methoxyphenyl)isonicotinic acid

CAS Number

100004-95-3

IUPAC Name

2-(3-methoxyphenyl)pyridine-4-carboxylic acid

InChI

InChI=1S/C13H11NO3/c1-17-11-4-2-3-9(7-11)12-8-10(13(15)16)5-6-14-12/h2-8H,1H3,(H,15,16)

InChIKey

CVHWXPCBLBMQDT-UHFFFAOYSA-N

Canonical SMILES

COC1=CC=CC(=C1)C2=NC=CC(=C2)C(=O)O

Physical and chemical properties of 2-(3-Methoxyphenyl)isonicotinic acid

Exact Mass

229.07400

LogP

2.45540

Molecular Formula

C13H11NO3

Molecular Weight

229.23100

PSA

59.42000

Applications of 2-(3-Methoxyphenyl)isonicotinic acid

2-(3-Methoxyphenyl)isonicotinic acid has several potential applications:

  • Pharmaceutical Development: Due to its biological activity, it may serve as a lead compound for developing new drugs targeting infectious diseases.
  • Chemical Research: It can be used in studies exploring structure-activity relationships within similar compounds.
  • Agricultural Chemistry: Investigations into its efficacy as a pesticide or herbicide could provide insights into its utility in agriculture.

Biological Activity of 2-(3-Methoxyphenyl)isonicotinic acid

Research indicates that isonicotinic acid derivatives, including 2-(3-Methoxyphenyl)isonicotinic acid, exhibit various biological activities. Notable areas of interest include:

  • Antimicrobial Activity: Compounds related to isonicotinic acid have shown potential as antimicrobial agents.
  • Antitubercular Properties: Isonicotinic acid derivatives are known for their role in the treatment of tuberculosis, particularly in the form of isoniazid (a well-known drug).
  • Anti-inflammatory Effects: Some studies suggest that these compounds may possess anti-inflammatory properties.

Further studies are needed to elucidate the specific mechanisms and efficacy of 2-(3-Methoxyphenyl)isonicotinic acid in these areas.

Retrosynthesis analysis of 2-(3-Methoxyphenyl)isonicotinic acid

  • Route#1

    Cas:108-89-4
    Cas:100004-95-3