Cas no 1227048-97-6 (2,6-diamino-3-Pyridinecarboxylic acid methyl ester)

2,6-Diamino-3-pyridinecarboxylic acid methyl ester is a versatile pyridine derivative with applications in pharmaceutical and organic synthesis. Its structure, featuring both amino and ester functional groups, makes it a valuable intermediate for constructing heterocyclic compounds and active pharmaceutical ingredients (APIs). The compound's reactivity allows for selective modifications, enabling the synthesis of complex molecules with high precision. Its stability under standard conditions ensures consistent performance in synthetic workflows. This derivative is particularly useful in medicinal chemistry for developing drug candidates due to its ability to serve as a scaffold for further functionalization. Proper handling and storage are recommended to maintain its integrity.
2,6-diamino-3-Pyridinecarboxylic acid methyl ester structure
1227048-97-6 structure
Product Name:2,6-diamino-3-Pyridinecarboxylic acid methyl ester
CAS No:1227048-97-6
MF:C7H9N3O2
MW:167.165261030197
CID:1102395
PubChem ID:119083719
Update Time:2025-06-06

2,6-diamino-3-Pyridinecarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,6-diamino-3-Pyridinecarboxylic acid methyl ester
    • SCHEMBL20306004
    • Methyl 2,6-diaminonicotinate
    • 1227048-97-6
    • Inchi: 1S/C7H9N3O2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3,(H4,8,9,10)
    • InChI Key: QPNHFJSWVMCXAB-UHFFFAOYSA-N
    • SMILES: O(C)C(C1=CC=C(N)N=C1N)=O

Computed Properties

  • Exact Mass: 167.069476538g/mol
  • Monoisotopic Mass: 167.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 0.6
  • Topological Polar Surface Area: 91.2?2

2,6-diamino-3-Pyridinecarboxylic acid methyl ester Pricemore >>

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