for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CNC2=NC=CC(=C21)OS(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate |
| InChIKey | LRYTVOHQGBBSAZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F3N2O3S/c9-8(10,11)17(14,15)16-6-2-4-13-7-5(6)1-3-12-7/h1-4H,(H,12,13) |
| Isómeros SMILES | C1=CNC2=NC=CC(=C21)OS(=O)(=O)C(F)(F)F |
| Número ONU | 2811 |
| Grupo de embalaje | III |
| Peso molecular | 266.2 |
| Reaxy-Rn | 48483526 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48483526&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 |
| Clase | Pyrrolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyridines |
| Alternative Parents | Trifluoromethanesulfonates Organosulfonic acid esters Pyridines and derivatives Sulfonic acid esters Heteroaromatic compounds Methanesulfonates Sulfonyls Pyrroles Trihalomethanes Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Organooxygen compounds Alkyl fluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - Trifluoromethanesulfonate - Pyridine - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Pyrrole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Peso molecular | 266.200 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.997 Da |
| Monoisotopic Mass | 265.997 Da |
| Topological Polar Surface Area | 80.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 378.000 |
| 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 |
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