Cas no 945557-04-0 (5-Bromo-3-chloropyridine-2-carbonitrile)

5-Bromo-3-chloropyridine-2-carbonitrile is a heterocyclic compound featuring a pyridine core substituted with bromo, chloro, and cyano functional groups. This structure imparts significant reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple halogen substituents enhances its utility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling the construction of complex molecular architectures. The electron-withdrawing nitrile group further contributes to its versatility in nucleophilic substitution and cyclization reactions. Its high purity and stability under standard conditions ensure reliable performance in research and industrial applications. This compound is particularly useful in the development of bioactive molecules and advanced materials.
5-Bromo-3-chloropyridine-2-carbonitrile structure
945557-04-0 structure
Product Name:5-Bromo-3-chloropyridine-2-carbonitrile
CAS No:945557-04-0
MF:C6H2BrClN2
MW:217.450479030609
MDL:MFCD12827550
CID:654210
PubChem ID:45382148
Update Time:2025-11-06

5-Bromo-3-chloropyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-3-chloropicolinonitrile
    • 5-bromo-3-chloropyridine-2-carbonitrile
    • 5-bromo-3-chloro- 2-Pyridinecarbonitrile
    • C6H2BrClN2
    • 5-bromo-2-cyano-3-chloropyridine
    • 5-Bromo-3-chloro-2-cyanopyridine
    • AK126247
    • 3-CHLORO-2-CYANO-5-BROMOPYRIDINE
    • PubChem21378
    • SIYPZKHSXDFDRA-UHFFFAOYSA-N
    • STL556444
    • BBL102641
    • SBB065634
    • EBD583205
    • SB13037
    • OR17892
    • FCH1327419
    • 5-bromo-3-chloro-2-pyridinecarbonitrile
    • SY1017
    • 5-Bromo-3-chloro-2-pyridinecarbonitrile (ACI)
    • PS-3988
    • 2-Pyridinecarbonitrile,5-bromo-3-chloro-
    • 945557-04-0
    • MFCD12827550
    • SCHEMBL1630093
    • DTXSID70670193
    • SY101718
    • AU-004/43502035
    • AKOS005257802
    • J-517016
    • DB-079954
    • 5-Bromo-3-chloropyridine-2-carbonitrile
    • MDL: MFCD12827550
    • Inchi: 1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
    • InChI Key: SIYPZKHSXDFDRA-UHFFFAOYSA-N
    • SMILES: N#CC1C(Cl)=CC(Br)=CN=1

Computed Properties

  • Exact Mass: 215.90900
  • Monoisotopic Mass: 215.909
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 164
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 36.7
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.85
  • Boiling Point: 289°C at 760 mmHg
  • Flash Point: 128.6°C
  • Refractive Index: 1.628
  • PSA: 36.68000
  • LogP: 2.36918

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5-Bromo-3-chloropyridine-2-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Water ;  1 h, 0 °C
1.2 Reagents: Copper ;  30 min, reflux
1.3 Reagents: Sodium hydroxide Solvents: Water ;  basified, cooled
Reference
Preparation of indole sulfonamides as modulators of progesterone receptors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Water ;  cooled; 1 h, 0 - 5 °C
1.2 Reagents: Copper ;  1 h, reflux; cooled
1.3 Reagents: Water ;  cooled
1.4 Reagents: Sodium hydroxide Solvents: Water ;  basified
Reference
Preparation of pyrazole- and imidazole-carboxamide derivatives as modulators of androgen receptor
, World Intellectual Property Organization, , ,

5-Bromo-3-chloropyridine-2-carbonitrile Raw materials

5-Bromo-3-chloropyridine-2-carbonitrile Preparation Products

Additional information on 5-Bromo-3-chloropyridine-2-carbonitrile

Market Research and Analysis of 5-Bromo-3-chloropyridine-2-carbonitrile in the Chemical-Biomedical Field

The compound 5-Bromo-3-chloropyridine-2-carbonitrile, identified by the CAS registry number 945557-04-0, has emerged as a significant molecule in the chemical-biomedical industry. This compound has garnered attention due to its potential applications in drug discovery, particularly in the development of novel therapeutic agents targeting various diseases, including cancer and infectious disorders.

Recent studies have highlighted the role of 5-Bromo-3-chloropyridine-2-carbonitrile as a promising lead compound in medicinal chemistry. Its unique structural features, including the bromine and chlorine substituents on the pyridine ring, contribute to its high reactivity and selectivity in biochemical reactions. These properties make it an ideal candidate for use in combinatorial chemistry and high-throughput screening processes.

Market demand for this compound has been driven by its increasing use in preclinical research and early-stage drug development. Major pharmaceutical companies and academic research institutions are actively exploring its potential as a building block for complex molecular architectures. Additionally, the compound's versatility in synthetic organic chemistry has expanded its utility across multiple therapeutic areas.

Global suppliers of 5-Bromo-3-chloropyridine-2-carbonitrile are strategically positioned to meet the growing demand from both industrial and academic sectors. Key players in this market are focusing on optimizing production processes to ensure high-quality standards while maintaining competitive pricing. The availability of this compound through various chemical suppliers has facilitated its widespread adoption in research laboratories worldwide.

In conclusion, 5-Bromo-3-chloropyridine-2-carbonitrile (CAS No. 945557-04-0) represents a valuable asset in the chemical-biomedical landscape. Its role as a versatile building block in drug discovery underscores its importance to both industry and academia. As research continues to uncover new applications for this compound, its market presence is expected to grow further, driven by advancements in synthetic methodologies and therapeutic innovations.

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