Cas no 886364-86-9 (5-bromo-4-methyl-pyridine-2-carbonitrile)

5-Bromo-4-methyl-pyridine-2-carbonitrile is a versatile heterocyclic compound featuring a bromine substituent at the 5-position and a methyl group at the 4-position of the pyridine ring, with a nitrile functional group at the 2-position. This structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine moiety offers reactivity for cross-coupling reactions, while the nitrile group provides a handle for further functionalization. Its well-defined reactivity profile and stability under standard conditions enhance its utility in constructing complex molecular frameworks. The compound is typically handled under inert conditions to preserve its integrity.
5-bromo-4-methyl-pyridine-2-carbonitrile structure
886364-86-9 structure
Product Name:5-bromo-4-methyl-pyridine-2-carbonitrile
CAS No:886364-86-9
MF:C7H5BrN2
MW:197.032000303268
MDL:MFCD07375090
CID:838823
PubChem ID:53395468
Update Time:2025-06-07

5-bromo-4-methyl-pyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-4-methylpicolinonitrile
    • 5-bromo-4-methylpyridine-2-carbonitrile
    • 5-Bromo-2-cyano-4-methylpyridine
    • 5-bromo-4-methyl-2-Pyridinecarbonitrile
    • 5-bromo-4-methylpicolinenitrile
    • 5-bromo-4-methyl-pyridine-2-carbonitrile
    • 5-Bromo-4-methyl-2-pyridinecarbonitrile (ACI)
    • DTXSID10694156
    • CS-W019687
    • DB-078045
    • J-517100
    • MFCD07375090
    • AKOS006286089
    • SCHEMBL153228
    • 886364-86-9
    • 5-Bromo-4-methylpyridine-2-carbonitrile, AldrichCPR
    • FS-3207
    • AB41150
    • JAQLBGDFALXUMV-UHFFFAOYSA-N
    • SY065579
    • MDL: MFCD07375090
    • Inchi: 1S/C7H5BrN2/c1-5-2-6(3-9)10-4-7(5)8/h2,4H,1H3
    • InChI Key: JAQLBGDFALXUMV-UHFFFAOYSA-N
    • SMILES: N#CC1C=C(C)C(Br)=CN=1

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
  • XLogP3: 2
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68000
  • LogP: 2.02418

5-bromo-4-methyl-pyridine-2-carbonitrile Security Information

5-bromo-4-methyl-pyridine-2-carbonitrile 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%

5-bromo-4-methyl-pyridine-2-carbonitrile Pricemore >>

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5-bromo-4-methyl-pyridine-2-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: Dimethylformamide ;  5 min, 150 °C
Reference
Discovery of the S1P2 Antagonist GLPG2938 (1-[2-Ethoxy-6-(trifluoromethyl)-4-pyridyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea), a Preclinical Candidate for the Treatment of Idiopathic Pulmonary Fibrosis
Mammoliti, Oscar ; Palisse, Adeline; Joannesse, Caroline; El Bkassiny, Sandy; Allart, Brigitte; et al, Journal of Medicinal Chemistry, 2021, 64(9), 6037-6058

5-bromo-4-methyl-pyridine-2-carbonitrile Raw materials

5-bromo-4-methyl-pyridine-2-carbonitrile Preparation Products

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