structure of 2-Fluoro-3-hydroxybenzonitrile

2-Fluoro-3-hydroxybenzonitrile

CAS No.: 1000339-24-1
M. Wt: 137.11100
M. Fa: C7H4FNO
InChI Key: CVJVSXKZGFQWJK-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 2-Fluoro-3-hydroxybenzonitrile

CAS Number

1000339-24-1

MDL Number

MFCD09839222

IUPAC Name

2-fluoro-3-hydroxybenzonitrile

InChI

InChI=1S/C7H4FNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H

InChIKey

CVJVSXKZGFQWJK-UHFFFAOYSA-N

Canonical SMILES

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

UNSPSC Code

12352100

Physical and chemical properties of 2-Fluoro-3-hydroxybenzonitrile

Acidity coefficient

7.32±0.10(Predicted)

Boiling Point

232.0±25.0 °C(Predicted)

Density

1.34±0.1 g/cm3(Predicted)

Exact Mass

137.02800

LogP

1.40298

Molecular Formula

C7H4FNO

Molecular Weight

137.11100

PSA

44.02000

Storage condition

Sealed in dry,Room Temperature

Safety Information of 2-Fluoro-3-hydroxybenzonitrile

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 2-Fluoro-3-hydroxybenzonitrile

2-Fluoro-3-hydroxybenzonitrile finds applications across various domains:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of biologically active molecules.
  • Materials Science: The compound may be utilized in developing new materials with specific electronic or optical properties due to its unique structure.
  • Research Tools: It is also used in proteomics research as a biochemical agent.

Interaction Studies of 2-Fluoro-3-hydroxybenzonitrile

Interaction studies are crucial for understanding how 2-Fluoro-3-hydroxybenzonitrile behaves in biological systems:

  • Protein Binding Studies: These studies assess how well the compound interacts with proteins, which is essential for predicting its pharmacokinetic properties.
  • Receptor Interaction: Investigating how this compound interacts with specific receptors can provide insights into its potential therapeutic uses.

Such studies are vital for advancing the understanding of this compound's utility in drug development.

Biological Activity of 2-Fluoro-3-hydroxybenzonitrile

Research indicates that compounds containing fluorine often exhibit enhanced biological activity compared to their non-fluorinated counterparts. 2-Fluoro-3-hydroxybenzonitrile has been studied for its potential roles in medicinal chemistry. Specifically:

  • Antimicrobial Activity: Some studies suggest that fluorinated compounds can possess antimicrobial properties, making them candidates for developing new antibiotics.
  • Pharmacological Potential: The unique electronic properties imparted by the fluorine atom may enhance the binding affinity of this compound to biological targets.

Physical sample testing spectrum (NMR) of 2-Fluoro-3-hydroxybenzonitrile

Physical sample testing spectrum (NMR) of 2-Fluoro-3-hydroxybenzonitrile