Cas no 890092-52-1 (5-bromo-4-methyl-pyridine-3-carbonitrile)

5-bromo-4-methyl-pyridine-3-carbonitrile structure
890092-52-1 structure
Product Name:5-bromo-4-methyl-pyridine-3-carbonitrile
CAS No:890092-52-1
MF:C7H5BrN2
MW:197.032000303268
MDL:MFCD07439978
CID:1095332
PubChem ID:7060681
Update Time:2024-10-26

5-bromo-4-methyl-pyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-4-methylnicotinonitrile
    • 5-bromo-4-methylpyridine-3-carbonitrile
    • 5-bromo-3-cyano-4-methylpyridine
    • AK150643
    • HVTPZRXPJRFYHD-UHFFFAOYSA-N
    • FCH856193
    • OR015014
    • AX8287664
    • 3-Pyridinecarbonitrile, 5-bromo-4-methyl-
    • Z2738925384
    • 5-bromo-4-methyl-pyridine-3-carbonitrile
    • 5-Bromo-4-methyl-3-pyridinecarbonitrile (ACI)
    • 890092-52-1
    • SCHEMBL3828623
    • Z1198173367
    • EN300-187824
    • F1957-0028
    • DTXSID70427649
    • AS-39144
    • DB-340778
    • CS-0043021
    • MFCD07439978
    • AKOS002666161
    • SY045889
    • MDL： MFCD07439978
    • Inchi： 1S/C7H5BrN2/c1-5-6(2-9)3-10-4-7(5)8/h3-4H,1H3
    • InChI Key： HVTPZRXPJRFYHD-UHFFFAOYSA-N
    • SMILES： N#CC1C(C)=C(Br)C=NC=1

Computed Properties

  • Exact Mass: 195.96361g/mol
  • 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: 1.6

Experimental Properties

  • Boiling Point: 256.1±35.0℃ at 760 mmHg

5-bromo-4-methyl-pyridine-3-carbonitrile Pricemore >>

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5-bromo-4-methyl-pyridine-3-carbonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride ,  Potassium iodide Catalysts: N,N,N′,N′-Tetramethylethylenediamine ,  1,2-Bis(diphenylphosphino)ethane ,  Palladium diacetate Solvents: Dimethylformamide ;  22 h, 130 °C
Reference
Ethyl Cyanoacetate: A New Cyanating Agent for the Palladium-Catalyzed Cyanation of Aryl Halides
Zheng, Shuyan; Yu, Chunhui; Shen, Zhengwu, Organic Letters, 2012, 14(14), 3644-3647

5-bromo-4-methyl-pyridine-3-carbonitrile Raw materials

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5-bromo-4-methyl-pyridine-3-carbonitrile Related Literature

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