≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1C=C2C(=CC(=O)NC2=N1)C(F)(F)F |
|---|---|
| IUPAC Name | 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one |
| InChIKey | ATOOYEKKPSCLJN-UHFFFAOYSA-N |
| INCHI | 1S/C8H6F3N3O/c1-14-3-4-5(8(9,10)11)2-6(15)12-7(4)13-14/h2-3H,1H3,(H,12,13,15) |
| PubChem CID | 135646630 |
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 | Pyrazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolopyridines |
| Alternative Parents | Pyridinones Pyrazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolopyridine - Pyridinone - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 217.150 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 217.046 Da |
| Monoisotopic Mass | 217.046 Da |
| Topological Polar Surface Area | 46.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 326.000 |
| 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 |
![2-methyl-4-(trifluoromethyl)-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one - ≥97% , CAS No.92736-40-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)