Cas no 94975-86-7 (3-methylquinoline-5-carboxylic acid)

3-Methylquinoline-5-carboxylic acid is a heterocyclic organic compound featuring a quinoline backbone substituted with a methyl group at the 3-position and a carboxylic acid functional group at the 5-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The carboxylic acid moiety enables further derivatization, while the methyl group enhances stability and influences electronic properties. Its well-defined reactivity makes it valuable for constructing complex molecular frameworks. The compound is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial processes. Suitable for use under standard laboratory conditions, it is handled with standard safety precautions for carboxylic acids.
3-methylquinoline-5-carboxylic acid structure
94975-86-7 structure
Product Name:3-methylquinoline-5-carboxylic acid
CAS No:94975-86-7
MF:C11H9NO2
MW:187.194662809372
MDL:MFCD18822091
CID:799081
PubChem ID:45117438
Update Time:2025-06-07

3-methylquinoline-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Quinolinecarboxylicacid, 3-methyl-
    • 3-methylquinoline-5-carboxylic acid
    • 5-Quinolinecarboxylicacid,3-methyl-(9CI)
    • EN300-8593237
    • SCHEMBL1398193
    • DTXSID90668618
    • LWRCEDZWWSKNNY-UHFFFAOYSA-N
    • Z1216843142
    • 94975-86-7
    • MDL: MFCD18822091
    • Inchi: 1S/C11H9NO2/c1-7-5-9-8(11(13)14)3-2-4-10(9)12-6-7/h2-6H,1H3,(H,13,14)
    • InChI Key: LWRCEDZWWSKNNY-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC2C1=CC(C)=CN=2)=O

Computed Properties

  • Exact Mass: 187.063
  • Monoisotopic Mass: 187.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 229
  • 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
  • Topological Polar Surface Area: 50.2A^2
  • XLogP3: 2.1

3-methylquinoline-5-carboxylic acid Pricemore >>

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