structure of 2-Acetamido-5-fluoropyridine

2-Acetamido-5-fluoropyridine

CAS No.: 100304-88-9
M. Wt: 154.142
M. Fa: C7H7FN2O
InChI Key: UGAKRZKIWDTOBX-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 2-Acetamido-5-fluoropyridine

CAS Number

100304-88-9

MDL Number

MFCD05662406

IUPAC Name

N-(5-fluoropyridin-2-yl)acetamide

InChI

InChI=1S/C7H7FN2O/c1-5(11)10-7-3-2-6(8)4-9-7/h2-4H,1H3,(H,9,10,11)

InChIKey

UGAKRZKIWDTOBX-UHFFFAOYSA-N

Canonical SMILES

CC(=O)NC1=NC=C(C=C1)F

UNSPSC Code

12352100

Physical and chemical properties of 2-Acetamido-5-fluoropyridine

Boiling Point

319.9±27.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

154.054245

Flash Point

147.3±23.7 °C

Index of Refraction

1.557

LogP

0.84

Molecular Formula

C7H7FN2O

Molecular Weight

154.142

PSA

41.99000

Storage condition

2-8°C

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 2-Acetamido-5-fluoropyridine

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 2-Acetamido-5-fluoropyridine

2-Acetamido-5-fluoropyridine has several applications across various fields:

  • Medicinal Chemistry: It serves as a scaffold for developing new pharmaceuticals, particularly in cancer and infectious disease therapies.
  • Biochemical Research: Utilized as a tool compound in enzyme assays and metabolic studies due to its ability to interact with biological systems.
  • Agricultural Chemistry: Potential use in developing agrochemicals that require specific interactions with plant enzymes or pathogens.

Interaction Studies of 2-Acetamido-5-fluoropyridine

Interaction studies involving 2-acetamido-5-fluoropyridine often focus on its binding affinity and mechanism of action with specific biological targets. These studies may include:

  • Enzyme Inhibition Assays: Evaluating how effectively this compound inhibits target enzymes involved in disease processes.
  • Molecular Docking Studies: Computational approaches to predict how 2-acetamido-5-fluoropyridine interacts at the molecular level with proteins or nucleic acids.

Such studies help elucidate the pharmacological profile of this compound and guide further development in drug discovery.

Biological Activity of 2-Acetamido-5-fluoropyridine

2-Acetamido-5-fluoropyridine exhibits notable biological activities, primarily due to its structural features that allow it to interact with biological targets. Research indicates that compounds in this class can act as enzyme inhibitors or modulators, which is particularly relevant in drug discovery. The fluorinated nature of this compound may enhance its binding affinity to specific targets, potentially leading to improved therapeutic profiles in applications such as:

  • Anticancer Research: Fluorinated pyridines have been explored for their potential to inhibit cancer cell proliferation.
  • Antimicrobial Activity: Some studies suggest that this compound may possess antimicrobial properties, making it a candidate for further investigation in infectious disease treatment.

Physical sample testing spectrum (NMR) of 2-Acetamido-5-fluoropyridine

Physical sample testing spectrum (NMR) of 2-Acetamido-5-fluoropyridine

Retrosynthesis analysis of 2-Acetamido-5-fluoropyridine

  • Route#1

    Cas:127773-43-7
    Cas:100304-88-9