structure of 2-Bromo-5-cyano-4-picoline

2-Bromo-5-cyano-4-picoline

CAS No.: 1003711-35-0
M. Wt: 197.032
M. Fa: C7H5BrN2
InChI Key: DHUDYHHQMIRPHS-UHFFFAOYSA-N
Appearance: Pale-yellow to Yellow-brown Solid

Names and Identifiers of 2-Bromo-5-cyano-4-picoline

CAS Number

1003711-35-0

MDL Number

MFCD09839265

IUPAC Name

6-bromo-4-methylpyridine-3-carbonitrile

InChI

InChI=1S/C7H5BrN2/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,1H3

InChIKey

DHUDYHHQMIRPHS-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=NC=C1C#N)Br

UNSPSC Code

12352100

Physical and chemical properties of 2-Bromo-5-cyano-4-picoline

Acidity coefficient

-2.00±0.18(Predicted)

Boiling Point

287.9±35.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

195.963608

Flash Point

127.9±25.9 °C

Index of Refraction

1.594

LogP

1.76

Molecular Formula

C7H5BrN2

Molecular Weight

197.032

PSA

36.68000

Storage condition

2-8°C

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 2-Bromo-5-cyano-4-picoline

Pictograms

Signal Word

 Warning

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

Applications of 2-Bromo-5-cyano-4-picoline

2-Bromo-5-cyano-4-picoline has diverse applications across various fields:

  • Chemistry: Serves as a building block for synthesizing more complex organic molecules.
  • Biology: Investigated for potential interactions with biomolecules.
  • Medicine: Explored as a precursor in pharmaceutical synthesis.
  • Industry: Utilized in producing agrochemicals, dyes, and other industrial chemicals.

Interaction Studies of 2-Bromo-5-cyano-4-picoline

The interaction studies of 2-Bromo-5-cyano-4-picoline focus on its ability to engage with enzymes, receptors, and other biomolecules. The presence of the bromine and cyano groups enhances its reactivity, allowing it to form derivatives that may exhibit specific biological activities. These interactions are crucial for understanding its mechanism of action and potential therapeutic applications.

Biological Activity of 2-Bromo-5-cyano-4-picoline

Research indicates that 2-Bromo-5-cyano-4-picoline exhibits potential biological activities, particularly in medicinal chemistry. Its structure allows it to interact with various biological targets, making it a candidate for further investigation in pharmacological studies. Its derivatives may have applications in treating diseases due to their ability to modulate biological pathways.

Physical sample testing spectrum (NMR) of 2-Bromo-5-cyano-4-picoline

Physical sample testing spectrum (NMR) of 2-Bromo-5-cyano-4-picoline