structure of Methyl 3-(5-methoxypyridin-3-yl)acrylate

Methyl 3-(5-methoxypyridin-3-yl)acrylate

CAS No.: 1000896-01-4
M. Wt: 193.19900
M. Fa: C10H11NO3
InChI Key: WRAKFCLGWVROJC-ONEGZZNKSA-N

Names and Identifiers of 1000896-01-4

CAS Number

1000896-01-4

IUPAC Name

methyl (E)-3-(5-methoxypyridin-3-yl)prop-2-enoate

InChI

InChI=1S/C10H11NO3/c1-13-9-5-8(6-11-7-9)3-4-10(12)14-2/h3-7H,1-2H3/b4-3+

InChIKey

WRAKFCLGWVROJC-ONEGZZNKSA-N

Canonical SMILES

COC1=CN=CC(=C1)C=CC(=O)OC

Isomeric SMILES

COC1=CN=CC(=C1)/C=C/C(=O)OC

Physical and chemical properties of 1000896-01-4

Exact Mass

193.07400

LogP

1.27640

Molecular Formula

C10H11NO3

Molecular Weight

193.19900

PSA

48.42000

Applications of 1000896-01-4

Methyl 3-(5-methoxypyridin-3-yl)acrylate has several potential applications:

  • Pharmaceuticals: Its unique structure makes it a candidate for drug development, particularly in creating new antimicrobial or anti-inflammatory agents.
  • Agricultural Chemicals: It may also find utility in developing agrochemicals due to its biological activity.
  • Material Science: The ability to polymerize could lead to applications in creating novel materials with specific properties.

Interaction Studies of 1000896-01-4

Research into the interactions of methyl 3-(5-methoxypyridin-3-yl)acrylate is limited but suggests that it may interact with various biological targets. Studies on similar compounds indicate potential interactions with enzymes involved in inflammation and microbial resistance pathways. Further investigation is necessary to elucidate these interactions fully.

Biological Activity of 1000896-01-4

Methyl 3-(5-methoxypyridin-3-yl)acrylate exhibits various biological activities:

  • Antimicrobial Properties: Preliminary studies suggest that it may possess antimicrobial effects, making it a candidate for further exploration in pharmaceutical applications.
  • Anti-inflammatory Effects: Some derivatives of similar compounds have shown promise in reducing inflammation, indicating potential therapeutic benefits.

Retrosynthesis analysis of 1000896-01-4

  • Route#1

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    Cas:1000896-01-4