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3-Ethyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid

CAS 2060026-65-3Formula C12H10F3NO2MW 257.21PubChem 125452908

This is an indole derivative featuring an ethyl group, a trifluoromethyl group, and a carboxylic acid moiety. It is classified as a research-oriented and research-oriented compound, making it a valuable building block or lead compound in medicinal chemistry and drug discovery research.

Loading RDKit molecule structure...
InChIKey: KSIQNEKAEBGREZ-UHFFFAOYSA-NC12H10F3NO2 | MW 257.21

Chemical Identity

Molecular Formula

C12H10F3NO2

Molecular Weight

257.21 g/mol

Exact Mass

257.066363

PubChem CID

125452908

SMILES String

CCc1c(C(=O)O)[nH]c2ccc(C(F)(F)F)cc12

Names & Synonyms

KSIQNEKAEBGREZ-UHFFFAOYSA-N3-Ethyl-5-(trifluoromethyl)-1H-indole-2-carboxylicacid
External Identifiers
EN300-336977

Catalog Overview

3-Ethyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid is an organic compound with the molecular formula C12H10F3NO2 and a molecular weight of 257. 21 g/mol. It belongs to the class of indole derivatives, characterized by a bicyclic indole core substituted with an ethyl group at position 3, a trifluoromethyl group at position 5, and a carboxylic acid group at position 2. The presence of the trifluoromethyl group often imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, which are desirable in pharmaceutical research.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

3-Ethyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid is an organic compound with the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. It belongs to the class of indole derivatives, characterized by a bicyclic indole core substituted with an ethyl group at position 3, a trifluoromethyl group at position 5, and a carboxylic acid group at position 2. The presence of the trifluoromethyl group often imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, which are desirable in pharmaceutical research. This compound is primarily intended for Research Use Only (RUO) applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white crystalline powder

Physical State

Solid

Melting Point

210.0 °C

Boiling Point

400.0 °C

Density

1.3 g/cm³

Water Solubility

Slightly soluble to insoluble

Flash Point

250.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 3-Ethyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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