≥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=C(C(=C2C(=NN(C2=N1)C3=CC=C(C=C3)F)C)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-chloro-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChIKey | WUHLZIPBRIHJET-UHFFFAOYSA-N |
| INCHI | 1S/C15H11ClFN3O2/c1-7-11-12(15(21)22)13(16)8(2)18-14(11)20(19-7)10-5-3-9(17)4-6-10/h3-6H,1-2H3,(H,21,22) |
| Molecular Weight | 319.72 |
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 Methylpyridines Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Methylpyridine - 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 | 319.720 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 319.052 Da |
| Monoisotopic Mass | 319.052 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 433.000 |
| 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-1-(4-fluorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - ≥97% , CAS No.1011399-89-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)