Cas no 587886-26-8 (2-(Trifluoromethyl)quinoline-3-carboxylic acid)

2-(Trifluoromethyl)quinoline-3-carboxylic acid is a fluorinated quinoline derivative with significant utility in pharmaceutical and agrochemical research. The trifluoromethyl group enhances its metabolic stability and lipophilicity, making it a valuable intermediate for drug discovery, particularly in the development of bioactive molecules. Its carboxylic acid functionality allows for further derivatization, enabling the synthesis of amides, esters, and other derivatives. This compound is also employed in material science due to its electron-withdrawing properties, which can influence electronic and optical characteristics. High purity and well-defined structural features ensure reproducibility in synthetic applications. Its stability under various reaction conditions further underscores its versatility in organic synthesis.
2-(Trifluoromethyl)quinoline-3-carboxylic acid structure
587886-26-8 structure
Product Name:2-(Trifluoromethyl)quinoline-3-carboxylic acid
CAS No:587886-26-8
MF:C11H6F3NO2
MW:241.166053295135
MDL:MFCD01862086
CID:366368
PubChem ID:2777809
Update Time:2025-05-28

2-(Trifluoromethyl)quinoline-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Trifluoromethyl)quinoline-3-carboxylic acid
    • 3-Quinolinecarboxylicacid, 2-(trifluoromethyl)-
    • EN300-382938
    • Q-103522
    • SCHEMBL20087
    • 5-(4-BROMOPHENYL)-2-FUROICACID98
    • TS-03370
    • AMY26028
    • Z3219959971
    • A849918
    • AKOS000320436
    • CS-0247965
    • SB69959
    • FT-0651357
    • 2-(trifluoromethyl)quinoline-3-carboxylic acid, 98%
    • 587886-26-8
    • DTXSID30380665
    • 2-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLICACID
    • MFCD01862086
    • MDL: MFCD01862086
    • Inchi: 1S/C11H6F3NO2/c12-11(13,14)9-7(10(16)17)5-6-3-1-2-4-8(6)15-9/h1-5H,(H,16,17)
    • InChI Key: VIUDHZOBRHLGGI-UHFFFAOYSA-N
    • SMILES: FC(C1=C(C(=O)O)C=C2C=CC=CC2=N1)(F)F

Computed Properties

  • Exact Mass: 241.03500
  • Monoisotopic Mass: 241.03506292g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 306
  • 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: 2.6
  • Topological Polar Surface Area: 50.2?2

Experimental Properties

  • PSA: 50.19000
  • LogP: 2.95180

2-(Trifluoromethyl)quinoline-3-carboxylic acid Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

2-(Trifluoromethyl)quinoline-3-carboxylic acid Pricemore >>

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2-(Trifluoromethyl)quinoline-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:587886-26-8)2-(Trifluoromethyl)quinoline-3-carboxylic acid
Order Number:A849918
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:27
Price ($):239.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:587886-26-8)2-(Trifluoromethyl)quinoline-3-carboxylic acid
A849918
Purity:99%
Quantity:1g
Price ($):239.0
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