Cas no 1396554-44-1 (2-bromo-N4-methylpyridine-3,4-diamine)

2-Bromo-N4-methylpyridine-3,4-diamine is a brominated pyridine derivative featuring both amine and methyl functional groups at the 3, 4, and N4 positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceutical agents. The presence of reactive bromine and amine groups enables selective functionalization, making it valuable for cross-coupling reactions and further derivatization. Its well-defined structure and high purity ensure consistent performance in research and industrial applications. The compound is commonly utilized in medicinal chemistry for the development of targeted molecules due to its ability to act as a building block for complex scaffolds.
2-bromo-N4-methylpyridine-3,4-diamine structure
1396554-44-1 structure
Product Name:2-bromo-N4-methylpyridine-3,4-diamine
CAS No:1396554-44-1
MF:C6H8BrN3
MW:202.051819801331
MDL:MFCD22415287
CID:1277918
PubChem ID:71651261
Update Time:2025-05-28

2-bromo-N4-methylpyridine-3,4-diamine Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-N4-methyl-3,4-pyridinediamine
    • 3-Amino-2-bromo-4-(methylamino)pyridine
    • 2-Bromo-N4-methylpyridine-3,4-diamine
    • AKOS026675525
    • 2-bromo-4-N-methylpyridine-3,4-diamine
    • 1396554-44-1
    • 3,4-Pyridinediamine, 2-bromo-N4-methyl-
    • WFC55444
    • CS-0316490
    • PS-5681
    • 2-bromo-N4-methylpyridine-3,4-diamine
    • MDL: MFCD22415287
    • Inchi: 1S/C6H8BrN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10)
    • InChI Key: IRUUOKUGVROVDG-UHFFFAOYSA-N
    • SMILES: C1(Br)=NC=CC(NC)=C1N

Computed Properties

  • Exact Mass: 200.99016g/mol
  • Monoisotopic Mass: 200.99016g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 109
  • 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: 1.2
  • Topological Polar Surface Area: 50.9?2

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