Cas no 914219-06-0 (4-chloro-2-methylpyridine-3-carboxylic acid)

4-Chloro-2-methylpyridine-3-carboxylic acid is a versatile heterocyclic compound featuring a chloro-substituted pyridine core with a methyl group at the 2-position and a carboxylic acid functionality at the 3-position. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing biologically active molecules. The chloro and carboxylic acid groups offer reactive sites for further functionalization, enabling diverse derivatization pathways. Its well-defined purity and stability ensure consistent performance in coupling reactions, metal-catalyzed transformations, and other synthetic applications. The compound is particularly useful in medicinal chemistry for developing targeted therapeutics due to its balanced reactivity and compatibility with common synthetic protocols.
4-chloro-2-methylpyridine-3-carboxylic acid structure
914219-06-0 structure
Product Name:4-chloro-2-methylpyridine-3-carboxylic acid
CAS No:914219-06-0
MF:C7H6ClNO2
MW:171.581040859222
CID:996385
PubChem ID:29922846
Update Time:2025-10-17

4-chloro-2-methylpyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-methylnicotinic acid
    • 4-Chloro-2-methylpyridinecarboxylic Acid
    • 4-CHLORO-2-METHYL-NICOTINIC ACID
    • 4-chloro-2-methylpyridine-3-carboxylic acid
    • 4-CHLORO-2-METHYL-NICOTINICACID
    • DTXSID50652199
    • AB49266
    • FT-0725254
    • SCHEMBL21816259
    • AKOS006288112
    • 914219-06-0
    • 4-Chloro-2-methylnicotinicacid
    • AC-27981
    • EN300-148662
    • DB-079014
    • MDL: MFCD09029455
    • Inchi: 1S/C7H6ClNO2/c1-4-6(7(10)11)5(8)2-3-9-4/h2-3H,1H3,(H,10,11)
    • InChI Key: SJURQBMTXUBKKS-UHFFFAOYSA-N
    • SMILES: ClC1C=CN=C(C)C=1C(=O)O

Computed Properties

  • Exact Mass: 171.0087061g/mol
  • Monoisotopic Mass: 171.0087061g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 50.2?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 297.9±35.0℃ at 760 mmHg
  • Flash Point: 134.0±25.9 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4-chloro-2-methylpyridine-3-carboxylic acid Security Information

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