≥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 | CN1C=C(C=N1)C2=NC3=C(C(=C2)C(F)F)C(=NN3CC(=O)O)C4CC4 |
|---|---|
| IUPAC Name | 2-[3-cyclopropyl-4-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid |
| InChIKey | VQPZYDNOIOEWPX-UHFFFAOYSA-N |
| INCHI | 1S/C16H15F2N5O2/c1-22-6-9(5-19-22)11-4-10(15(17)18)13-14(8-2-3-8)21-23(7-12(24)25)16(13)20-11/h4-6,8,15H,2-3,7H2,1H3,(H,24,25) |
| Isomeric SMILES | CN1C=C(C=N1)C2=NC3=C(C(=C2)C(F)F)C(=NN3CC(=O)O)C4CC4 |
| PubChem CID | 19625360 |
| Molecular Weight | 347.32 |
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 | Pyridines and derivatives |
| Subclass | Pyrazolylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolylpyridines |
| Alternative Parents | Alpha amino acids and derivatives Pyrazolopyridines Pyrazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-pyrazolylpyridine - Alpha-amino acid or derivatives - Pyrazolopyridine - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond. |
| External Descriptors | Not available |
| Molecular Weight | 347.320 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 347.119 Da |
| Monoisotopic Mass | 347.119 Da |
| Topological Polar Surface Area | 85.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| 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-(3-Cyclopropyl-4-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid - ≥97% CAS No(1006445-08-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C995449.jpg)