Cas no 717843-45-3 (3-Bromo-4-methylpicolinonitrile)

3-Bromo-4-methylpicolinonitrile is a brominated pyridine derivative featuring a nitrile functional group, commonly utilized as a versatile intermediate in pharmaceutical and agrochemical synthesis. Its molecular structure, combining a bromo substituent at the 3-position and a methyl group at the 4-position, offers selective reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling efficient derivatization. The nitrile group further enhances its utility as a precursor for heterocyclic transformations, including hydrolysis or reduction to amines. This compound is valued for its stability, high purity, and compatibility with diverse synthetic routes, making it a practical choice for researchers developing bioactive molecules or functional materials.
3-Bromo-4-methylpicolinonitrile structure
717843-45-3 structure
Product Name:3-Bromo-4-methylpicolinonitrile
CAS No:717843-45-3
MF:C7H5BrN2
MW:197.032000303268
MDL:MFCD12761209
CID:839301
PubChem ID:21952574
Update Time:2025-08-02

3-Bromo-4-methylpicolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-methylpicolinonitrile
    • 2-Pyridinecarbonitrile, 3-bromo-4-methyl-
    • 3-bromo-4-methylpyridine-2-carbonitrile
    • 3-Bromo-4-methyl-2-pyridinecarbonitrile
    • 3-bromo-4-methylpicolonitrile
    • FBVRTASSYFBLLN-UHFFFAOYSA-N
    • 3-BroMo-2-cyano-4-Methylpyridine
    • 1147AC
    • FCH1179762
    • AX8236354
    • AB0090813
    • DTXSID80620664
    • MFCD12761209
    • A853516
    • 3-bromo-4-methyl-pyridine-2-carbonitrile
    • 717843-45-3
    • SY121451
    • CS-0153650
    • SCHEMBL1841305
    • AMY19010
    • AKOS015940775
    • DS-18307
    • FT-0734820
    • C76283
    • MDL: MFCD12761209
    • Inchi: 1S/C7H5BrN2/c1-5-2-3-10-6(4-9)7(5)8/h2-3H,1H3
    • InChI Key: FBVRTASSYFBLLN-UHFFFAOYSA-N
    • SMILES: BrC1C(C#N)=NC=CC=1C

Computed Properties

  • Exact Mass: 195.96400
  • Monoisotopic Mass: 195.96361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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

Experimental Properties

  • Density: 1.61
  • Boiling Point: 318℃
  • Flash Point: 146℃
  • PSA: 36.68000
  • LogP: 2.02418

3-Bromo-4-methylpicolinonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Bromo-4-methylpicolinonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029013655-250mg
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
250mg
$316.24 2023-09-01
Alichem
A029013655-1g
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
1g
$790.61 2023-09-01
Alichem
A029013655-5g
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
5g
$2371.81 2023-09-01
Alichem
A029013655-10g
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
10g
$3770.57 2023-09-01
Fluorochem
228764-250mg
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
250mg
£109.00 2022-02-28
Fluorochem
228764-5g
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
5g
£813.00 2022-02-28
abcr
AB440138-250 mg
3-Bromo-4-methylpicolinonitrile; .
717843-45-3
250mg
€239.80 2023-04-22
abcr
AB440138-1 g
3-Bromo-4-methylpicolinonitrile; .
717843-45-3
1g
€506.50 2023-04-22
Fluorochem
228764-1g
3-Bromo-4-methylpicolinonitrile
717843-45-3 95%
1g
£271.00 2022-02-28
Chemenu
CM177143-250mg
3-Bromo-4-methylpicolinonitrile
717843-45-3 97%
250mg
$134 2022-06-10

Additional information on 3-Bromo-4-methylpicolinonitrile

Recent Advances in the Application of 3-Bromo-4-methylpicolinonitrile (CAS: 717843-45-3) in Chemical Biology and Pharmaceutical Research

3-Bromo-4-methylpicolinonitrile (CAS: 717843-45-3) has emerged as a key intermediate in the synthesis of bioactive molecules and pharmaceutical compounds. Recent studies highlight its versatility in medicinal chemistry, particularly in the development of kinase inhibitors and other targeted therapies. This compound's unique structural features, including the bromo and cyano functional groups, make it a valuable building block for constructing complex heterocyclic systems with potential therapeutic applications.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the use of 3-Bromo-4-methylpicolinonitrile as a precursor in the synthesis of novel pyridine-based EGFR inhibitors. The research team utilized palladium-catalyzed cross-coupling reactions to efficiently modify the compound, achieving significant improvements in both potency and selectivity against mutant EGFR isoforms. These findings suggest promising applications in non-small cell lung cancer treatment, where EGFR mutations are frequently observed.

In the field of agrochemical research, 3-Bromo-4-methylpicolinonitrile has shown potential as a scaffold for developing new generation pesticides. A recent patent application (WO2023056789) describes its transformation into pyridine-carboxamide derivatives with remarkable insecticidal activity against resistant pest populations. The compound's ability to undergo various nucleophilic substitution reactions while maintaining structural integrity makes it particularly valuable for structure-activity relationship studies in this domain.

From a synthetic chemistry perspective, advances in continuous flow technology have improved the scalability and safety profile of 3-Bromo-4-methylpicolinonitrile production. A 2024 publication in Organic Process Research & Development reported an optimized continuous manufacturing process that achieves >90% yield with significantly reduced hazardous waste generation compared to traditional batch methods. This technological advancement addresses both economic and environmental concerns associated with large-scale production of this important intermediate.

Recent analytical characterization studies using advanced techniques such as X-ray crystallography and 2D NMR have provided deeper insights into the molecular structure and reactivity of 3-Bromo-4-methylpicolinonitrile. These findings, published in the Journal of Molecular Structure (2024), have important implications for predicting its behavior in various chemical transformations and for rational drug design applications where precise molecular geometry is crucial for biological activity.

Looking forward, the pharmaceutical industry is showing increased interest in 3-Bromo-4-methylpicolinonitrile derivatives as potential candidates for addressing emerging therapeutic challenges. Current research directions include exploring its use in PROTAC (proteolysis targeting chimera) development and as a building block for covalent inhibitors targeting challenging protein targets. The compound's chemical versatility and the growing body of knowledge about its reactivity position it as an important tool in modern drug discovery efforts.

Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd