structure of 2-Amino-3-bromo-5-chloro-6-fluorobenzonitrile

2-Amino-3-bromo-5-chloro-6-fluorobenzonitrile

CAS No.: 1000577-72-9
M. Wt: 249.467
M. Fa: C7H3BrClFN2
InChI Key: QDBMUGJYCLTPIJ-UHFFFAOYSA-N

Names and Identifiers of 1000577-72-9

CAS Number

1000577-72-9

MDL Number

MFCD09800810

IUPAC Name

2-amino-3-bromo-5-chloro-6-fluorobenzonitrile

InChI

InChI=1S/C7H3BrClFN2/c8-4-1-5(9)6(10)3(2-11)7(4)12/h1H,12H2

InChIKey

QDBMUGJYCLTPIJ-UHFFFAOYSA-N

Canonical SMILES

C1=C(C(=C(C(=C1Br)N)C#N)F)Cl

UNSPSC Code

12352100

Physical and chemical properties of 1000577-72-9

Boiling Point

303.0±42.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Exact Mass

247.915207

Flash Point

137.0±27.9 °C

Index of Refraction

1.637

LogP

3.54

Molecular Formula

C7H3BrClFN2

Molecular Weight

249.467

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 1000577-72-9

Pictograms

Signal Word

 Warning

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

Applications of 1000577-72-9

2-Amino-3-bromo-5-chloro-6-fluorobenzonitrile has various applications:

  • Medicinal Chemistry: It is explored for its potential as a pharmaceutical agent due to its ability to interact with biological targets.
  • Research: The compound serves as a tool in biochemical research to study enzyme functions and cellular processes.

Interaction Studies of 1000577-72-9

Studies on the interactions of 2-Amino-3-bromo-5-chloro-6-fluorobenzonitrile with biomolecules reveal its potential as a modulator in biochemical pathways. Its stability under laboratory conditions allows for extended studies on its effects on cellular functions and signaling pathways. Research indicates that it can influence protein phosphorylation states and gene expression patterns over time.

Biological Activity of 1000577-72-9

The biological activity of 2-Amino-3-bromo-5-chloro-6-fluorobenzonitrile is notable in several contexts:

  • Enzyme Interaction: It may act as an inhibitor or activator of specific enzymes, influencing various biochemical pathways. This interaction can occur through covalent bonding, hydrogen bonding, or van der Waals forces.
  • Cellular Effects: The compound impacts cell signaling pathways and gene expression, potentially altering cellular metabolism and responses. Its effects may vary based on concentration and exposure duration.
  • Molecular Mechanism: The amino group facilitates hydrogen bonding with biological molecules, while the halogen substituents can participate in halogen bonding, enhancing its biological activity.