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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.
| Sonrisas canónicas | COC(=O)C1=CC2=NNC(=C2N=C1)Br |
|---|---|
| IUPAC Name | methyl 3-bromo-2H-pyrazolo[4,3-b]pyridine-6-carboxylate |
| InChIKey | NAYWRQVHZWWJKK-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrN3O2/c1-14-8(13)4-2-5-6(10-3-4)7(9)12-11-5/h2-3H,1H3,(H,11,12) |
| Isómeros SMILES | COC(=O)C1=CC2=NNC(=C2N=C1)Br |
| PubChem CID | 90039131 |
| Peso molecular | 256.06 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolopyridines |
| Alternative Parents | Pyridinecarboxylic acids Aryl bromides Pyrazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolopyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aryl bromide - Aryl halide - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 256.060 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 254.964 Da |
| Monoisotopic Mass | 254.964 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 239.000 |
| 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 |