structure of 3-Pyridinecarboxylic acid, 6-(cyanoMethyl)-, Methyl ester

3-Pyridinecarboxylic acid, 6-(cyanoMethyl)-, Methyl ester

CAS No.: 1000529-39-4
M. Wt: 176.172
M. Fa: C9H8N2O2
InChI Key: HKDMGDHRGHVZOP-UHFFFAOYSA-N

Names and Identifiers of 1000529-39-4

CAS Number

1000529-39-4

MDL Number

MFCD09924214

IUPAC Name

methyl 6-(cyanomethyl)pyridine-3-carboxylate

InChI

InChI=1S/C9H8N2O2/c1-13-9(12)7-2-3-8(4-5-10)11-6-7/h2-3,6H,4H2,1H3

InChIKey

HKDMGDHRGHVZOP-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=CC=C(CC#N)N=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000529-39-4

Boiling Point

311.0±32.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

176.058578

Flash Point

141.9±25.1 °C

H Bond Acceptors

3

H Bond Donors

0

Index of Refraction

1.533

LogP

0.11

Molecular Formula

C9H8N2O2

Molecular Weight

176.172

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 1000529-39-4

Pictograms

Signal Word

 Warning

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

Applications of 1000529-39-4

Methyl 6-(cyanomethyl)nicotinate has several applications across different fields:

  • Medicinal Chemistry: It is explored for its potential therapeutic effects, particularly in developing anti-inflammatory and analgesic drugs.
  • Organic Synthesis: The compound serves as a versatile building block for synthesizing more complex organic molecules.
  • Agricultural Chemistry: Its properties may be utilized in developing agrochemicals with specific biological activities.

The diverse applications of this compound underscore its significance in both research and industry.

Interaction Studies of 1000529-39-4

Studies focusing on the interactions of methyl 6-(cyanomethyl)nicotinate with biological systems are crucial for understanding its pharmacodynamics. Research typically investigates how this compound interacts with specific receptors or enzymes, potentially leading to therapeutic effects. Such investigations are essential for elucidating the mechanisms underlying its biological activity and optimizing its use in medicinal formulations.

Biological Activity of 1000529-39-4

Research indicates that methyl 6-(cyanomethyl)nicotinate exhibits notable biological activity. Compounds in this class have been studied for their potential pharmacological effects, including anti-inflammatory, analgesic, and antimicrobial properties. The presence of the cyanomethyl group enhances its interactions with biological targets, potentially increasing efficacy in therapeutic applications. Studies suggest that derivatives of nicotinic acid can modulate nicotinic receptors, influencing various physiological processes.