≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
NHI-2 is a potent inhibitor of LDH-A. NHI-2 is an efficient anti-glycolytic agent. NHI-2 has the potential for the research of cancer disease.
| Canonical Smiles | COC(=O)C1=CC2=C(C=C(C=C2N1O)C3=CC=CC=C3)C(F)(F)F |
|---|---|
| IUPAC Name | methyl 1-hydroxy-6-phenyl-4-(trifluoromethyl)indole-2-carboxylate |
| InChIKey | YPPFWRWCZNXINO-UHFFFAOYSA-N |
| INCHI | 1S/C17H12F3NO3/c1-24-16(22)15-9-12-13(17(18,19)20)7-11(8-14(12)21(15)23)10-5-3-2-4-6-10/h2-9,23H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC2=C(C=C(C=C2N1O)C3=CC=CC=C3)C(F)(F)F |
| Molecular Weight | 335.28 |
| Reaxy-Rn | 21442558 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21442558&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2320033 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320034 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320035 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320036 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320037 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320038 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320040 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| L2320041 | Certificate of Analysis | Dec 09, 2023 | N286797 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 33.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 33.53, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 335.280 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 335.077 Da |
| Monoisotopic Mass | 335.077 Da |
| Topological Polar Surface Area | 51.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 464.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
