Cas no 62458-87-1 (3-Pyridinecarboxamide, 4-chloro-N-2-propenyl-)

3-Pyridinecarboxamide, 4-chloro-N-2-propenyl-, is a specialized organic compound featuring a pyridine core substituted with a chloro group at the 4-position and an acrylamide moiety at the carboxamide nitrogen. This structure confers reactivity suitable for further functionalization, particularly in pharmaceutical and agrochemical synthesis. The chloro group enhances electrophilic substitution potential, while the propenyl side chain offers versatility in polymerization or cross-linking applications. Its well-defined molecular architecture ensures consistency in research and industrial processes, making it valuable for developing bioactive intermediates or advanced materials. High purity and stability under controlled conditions further support its utility in precision chemical synthesis.
3-Pyridinecarboxamide, 4-chloro-N-2-propenyl- structure
62458-87-1 structure
Product Name:3-Pyridinecarboxamide, 4-chloro-N-2-propenyl-
CAS No:62458-87-1
MF:C9H9ClN2O
MW:196.63356089592
CID:444033
PubChem ID:71386177
Update Time:2025-06-07

3-Pyridinecarboxamide, 4-chloro-N-2-propenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxamide, 4-chloro-N-2-propenyl-
    • 4-chloro-N-prop-2-enylpyridine-3-carboxamide
    • SB54150
    • AKOS019797052
    • 62458-87-1
    • N-Allyl-4-chloronicotinamide
    • 4-Chloro-N-(prop-2-en-1-yl)pyridine-3-carboxamide
    • DTXSID30808374
    • Inchi: 1S/C9H9ClN2O/c1-2-4-12-9(13)7-6-11-5-3-8(7)10/h2-3,5-6H,1,4H2,(H,12,13)
    • InChI Key: RGNCOSHHPFQSJX-UHFFFAOYSA-N
    • SMILES: ClC1C=CN=CC=1C(NCC=C)=O

Computed Properties

  • Exact Mass: 196.04047
  • Monoisotopic Mass: 196.0403406g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 196
  • 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: 1.4
  • Topological Polar Surface Area: 42?2

Experimental Properties

  • PSA: 41.99

3-Pyridinecarboxamide, 4-chloro-N-2-propenyl- Pricemore >>

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