≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CC1C2=NN(C3=C2C(=CC(=N3)C4=CC=C(C=C4)F)C(=O)O)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 3-cyclopropyl-1,6-bis(4-fluorophenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| InChIKey | NTBFYDUCZRZGFQ-UHFFFAOYSA-N |
| INCHI | 1S/C22H15F2N3O2/c23-14-5-3-12(4-6-14)18-11-17(22(28)29)19-20(13-1-2-13)26-27(21(19)25-18)16-9-7-15(24)8-10-16/h3-11,13H,1-2H2,(H,28,29) |
| Molecular Weight | 391.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Phenylpyrazoles Pyridinecarboxylic acids Pyrazolopyridines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - Phenylpyrazole - Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 391.400 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 391.113 Da |
| Monoisotopic Mass | 391.113 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 603.000 |
| 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 |
![3-cyclopropyl-1,6-bis(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - ≥97% , CAS No.1011396-68-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)