structure of 2-(6-(Benzyloxy)pyridin-2-yl)acetonitrile

2-(6-(Benzyloxy)pyridin-2-yl)acetonitrile

CAS No.: 1000545-89-0
M. Wt: 224.25800
M. Fa: C14H12N2O
InChI Key: IKRVODIMXPPYHC-UHFFFAOYSA-N

Names and Identifiers of 1000545-89-0

CAS Number

1000545-89-0

IUPAC Name

2-(6-phenylmethoxypyridin-2-yl)acetonitrile

InChI

InChI=1S/C14H12N2O/c15-10-9-13-7-4-8-14(16-13)17-11-12-5-2-1-3-6-12/h1-8H,9,11H2

InChIKey

IKRVODIMXPPYHC-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)COC2=CC=CC(=N2)CC#N

Physical and chemical properties of 1000545-89-0

Exact Mass

224.09500

LogP

2.72668

Molecular Formula

C14H12N2O

Molecular Weight

224.25800

PSA

45.91000

Applications of 1000545-89-0

The unique structure of 2-(6-(Benzyloxy)pyridin-2-yl)acetonitrile lends itself to various applications:

  • Pharmaceutical Development: Due to its potential biological activities, it may serve as a lead compound in drug discovery for antimicrobial or anticancer agents.
  • Chemical Probes: It can be used as a chemical probe in biological studies to elucidate mechanisms of action for certain pathways.
  • Material Science: Its properties may also find applications in developing new materials with specific electronic or optical characteristics.

Interaction Studies of 1000545-89-0

Interaction studies involving 2-(6-(Benzyloxy)pyridin-2-yl)acetonitrile are essential for understanding its mechanism of action at the molecular level. These studies often focus on:

  • Binding Affinity: Determining how strongly the compound binds to target proteins or enzymes.
  • Mechanism of Action: Investigating how the compound influences biological pathways or interacts with cellular components.
  • Synergistic Effects: Analyzing whether combining this compound with other drugs enhances therapeutic effects.

Biological Activity of 1000545-89-0

Research indicates that compounds similar to 2-(6-(Benzyloxy)pyridin-2-yl)acetonitrile exhibit various biological activities, including:

  • Antimicrobial Properties: Some derivatives have shown effectiveness against bacterial strains, suggesting potential applications in treating infections.
  • Anticancer Activity: Certain pyridine-based compounds have demonstrated cytotoxic effects on cancer cell lines, indicating that this compound may possess similar properties.
  • Enzyme Inhibition: The compound may act as an inhibitor for specific enzymes, which could be beneficial in drug design for diseases where enzyme regulation is crucial.