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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

6-(trifluoromethoxy)-1H-indole-2-carboxylic acid

OC(=O)c1cc2c([nH]1)cc(cc2)OC(F)(F)F Request for Quotation
Chemical Name: 6-(trifluoromethoxy)-1H-indole-2-carboxylic acid
CAS Number: 923259-70-5
Product Number: AG00GYNF(AGN-PC-00UY5H)
Synonyms:
MDL No:
Molecular Formula: C10H6F3NO3
Molecular Weight: 245.1547

Identification/Properties

Computed Properties
Molecular Weight:
245.157g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
245.03g/mol
Monoisotopic Mass:
245.03g/mol
Topological Polar Surface Area:
62.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
308
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The 6-(Trifluoromethoxy)-1H-indole-2-carboxylic acid is a versatile compound that finds wide applications in chemical synthesis. It is commonly used as a key building block in the preparation of pharmaceuticals, agrochemicals, and materials science. Due to the presence of the trifluoromethoxy group, this compound exhibits unique reactivity and can serve as a valuable intermediate in the synthesis of complex organic molecules. Its ability to introduce the trifluoromethoxy functionality into target molecules makes it a highly sought-after reagent in the field of medicinal chemistry, where the incorporation of fluorine atoms is known to enhance the bioactivity and metabolic stability of drug candidates. In addition, the 6-(Trifluoromethoxy)-1H-indole-2-carboxylic acid can participate in a variety of chemical transformations such as cross-coupling reactions, cyclization reactions, and functional group manipulations, making it a versatile tool for the construction of diverse molecular architectures. Whether used as a reactant, catalyst, or precursor, this compound exhibits great potential in streamlining the synthesis of intricate organic compounds with valuable properties.