≥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 | CC1=NN(C2=NC(=C(C(=C12)C(=O)O)Cl)C3CC3)C4=CC=CC=C4F |
|---|---|
| IUPAC Name | 5-chloro-6-cyclopropyl-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChIKey | JURYZRUAGLIEKH-UHFFFAOYSA-N |
| INCHI | 1S/C17H13ClFN3O2/c1-8-12-13(17(23)24)14(18)15(9-6-7-9)20-16(12)22(21-8)11-5-3-2-4-10(11)19/h2-5,9H,6-7H2,1H3,(H,23,24) |
| Molecular Weight | 345.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyridinecarboxylic acids Pyrazolopyridines 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 345.800 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 345.068 Da |
| Monoisotopic Mass | 345.068 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 506.000 |
| 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 |
![5-chloro-6-cyclopropyl-1-(2-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - ≥97% , CAS No.1011397-82-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)