structure of Methyl 5-cyano-2-methoxynicotinate

Methyl 5-cyano-2-methoxynicotinate

CAS No.: 1806320-48-8
M. Wt: 192.17
M. Fa: C9H8N2O3
InChI Key: JBYRVTZGMZMMMA-UHFFFAOYSA-N

Names and Identifiers of Methyl 5-cyano-2-methoxynicotinate

CAS Number

1806320-48-8

MDL Number

MFCD22371018

IUPAC Name

methyl 5-cyano-2-methoxypyridine-3-carboxylate

InChI

InChI=1S/C9H8N2O3/c1-13-8-7(9(12)14-2)3-6(4-10)5-11-8/h3,5H,1-2H3

InChIKey

JBYRVTZGMZMMMA-UHFFFAOYSA-N

Canonical SMILES

COC1=C(C=C(C=N1)C#N)C(=O)OC

UNSPSC Code

12352100

Physical and chemical properties of Methyl 5-cyano-2-methoxynicotinate

Boiling Point

311.0±42.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

192.053497

Flash Point

141.9±27.9 °C

Index of Refraction

1.528

LogP

1.67

Molecular Formula

C9H8N2O3

Molecular Weight

192.17

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of Methyl 5-cyano-2-methoxynicotinate

Pictograms

Signal Word

 Warning

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

Applications of Methyl 5-cyano-2-methoxynicotinate

Methyl 5-cyano-2-methoxynicotinate has several applications, particularly in:

  • Pharmaceutical Development: Its unique structure makes it a candidate for drug development, especially in creating novel therapeutic agents.
  • Agricultural Chemicals: Potential use as a pesticide or herbicide due to its biological activity.
  • Organic Synthesis: It serves as an intermediate in synthesizing more complex organic molecules.

Interaction Studies of Methyl 5-cyano-2-methoxynicotinate

Interaction studies involving methyl 5-cyano-2-methoxynicotinate focus on its behavior in biological systems and its interactions with various biomolecules. Key findings include:

  • Enzyme Inhibition: It may inhibit certain enzymes, which could be beneficial for therapeutic applications.
  • Binding Affinity Studies: Research into its binding affinity with proteins or receptors can provide insights into its mechanism of action and potential therapeutic uses.

Biological Activity of Methyl 5-cyano-2-methoxynicotinate

Research indicates that methyl 5-cyano-2-methoxynicotinate exhibits notable biological activities, including:

  • Antimicrobial Properties: Preliminary studies suggest it has potential as an antimicrobial agent.
  • Antioxidant Activity: The compound may exhibit antioxidant properties, contributing to cellular protection against oxidative stress.
  • Potential Anti-inflammatory Effects: Some derivatives of nicotinic acid have shown anti-inflammatory properties, which may extend to this compound.