Cas no 474824-78-7 (3-Bromo-5-methylpicolinonitrile)

3-Bromo-5-methylpicolinonitrile is a heterocyclic organic compound featuring a pyridine core substituted with a bromine atom at the 3-position, a methyl group at the 5-position, and a nitrile functional group. This structure makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients and fine chemicals. The bromine substituent enhances reactivity for cross-coupling reactions, while the nitrile group offers further functionalization potential. Its well-defined molecular framework ensures consistent performance in nucleophilic substitution and metal-catalyzed transformations. The compound is characterized by high purity and stability, making it suitable for rigorous synthetic applications.
3-Bromo-5-methylpicolinonitrile structure
474824-78-7 structure
Product Name:3-Bromo-5-methylpicolinonitrile
CAS No:474824-78-7
MF:C7H5BrN2
MW:197.032000303268
MDL:MFCD16988815
CID:1025835
PubChem ID:22591218
Update Time:2025-11-02

3-Bromo-5-methylpicolinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-methylpicolinonitrile
    • 3-BroMo-5-Methylpyridine-2-carbonitrile
    • 3-bromo-2-cyano-5-methylpyridine
    • WGKYSFRFMQHMOF-UHFFFAOYSA-N
    • FCH1174431
    • RP04091
    • OR60144
    • BL007503
    • SY031477
    • AB0025035
    • 2-Pyridinecarbonitrile, 3-bromo-5-methyl-
    • AX8223453
    • W6422
    • ST24022756
    • 3-Bromo-5-methylpicolinonitrile, Aldrich
    • SCHEMBL1008431
    • 3-Bromo-5-methylpicolinonitrile, AldrichCPR
    • CS-W021873
    • DTXSID70626655
    • J-512041
    • MFCD16988815
    • EN300-172706
    • A872138
    • AMY31249
    • 474824-78-7
    • FS-3330
    • AKOS015835081
    • MDL： MFCD16988815
    • Inchi： 1S/C7H5BrN2/c1-5-2-6(8)7(3-9)10-4-5/h2,4H,1H3
    • InChI Key： WGKYSFRFMQHMOF-UHFFFAOYSA-N
    • SMILES： BrC1=C(C#N)N=CC(C)=C1

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±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),
  • PSA: 36.68000
  • LogP: 2.02418

3-Bromo-5-methylpicolinonitrile Security Information

  • Hazard Statement： H301
  • Hazardous Material transportation number：2811
  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： T
  • HazardClass：6.1
  • PackingGroup：Ⅲ

3-Bromo-5-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-5-methylpicolinonitrile Pricemore >>

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