Cas no 942612-14-8 (3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile)

3-Bromo-1,5-dimethyl-1H-pyrrole-2-carbonitrile is a brominated pyrrole derivative featuring a cyano functional group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the construction of heterocyclic frameworks and pharmaceutical precursors. The bromine substituent enhances reactivity for further functionalization via cross-coupling reactions, while the electron-withdrawing cyano group stabilizes the pyrrole core and influences regioselectivity in subsequent transformations. Its well-defined structure and high purity make it suitable for applications in medicinal chemistry and materials science. The compound’s stability under standard storage conditions ensures consistent performance in synthetic workflows.
3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile structure
942612-14-8 structure
Product Name:3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile
CAS No:942612-14-8
MF:C7H7BrN2
MW:199.047880411148
CID:1122391
PubChem ID:102084909
Update Time:2025-05-28

3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile
    • 942612-14-8
    • CS-0458885
    • Inchi: 1S/C7H7BrN2/c1-5-3-6(8)7(4-9)10(5)2/h3H,1-2H3
    • InChI Key: RQDNTEQSLSUUEU-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C)N(C)C=1C#N

Computed Properties

  • Exact Mass: 197.97926g/mol
  • Monoisotopic Mass: 197.97926g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 172
  • 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: 1.8
  • Topological Polar Surface Area: 28.7?2

3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
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3-Bromo-1,5-dimethyl-1H-pyrrole-2-carbonitrile
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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