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.
| ALogP | 3 |
|---|
| Canonical Smiles | FC(Cl)(F)OC1=CC=C(C=C1)NC(=O)C2C=C(C3=NNC=C3)C(=NC=2)N4C[C@@H](O)CC4 |
|---|---|
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide |
| InChIKey | VOVZXURTCKPRDQ-AWEZNQCLSA-N |
| INCHI | 1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m0/s1 |
| Isomeric SMILES | C1CN(C[C@H]1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4 |
| PubChem CID | 72544672 |
| Molecular Weight | 449.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Pyrazolylpyridines Nicotinamides Dialkylarylamines Phenol ethers Phenoxy compounds Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Pyrrolidines Pyrazoles Secondary alcohols Secondary carboxylic acid amides Trihalomethanes Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Alkyl chlorides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - 3-pyrazolylpyridine - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Nicotinamide - Phenoxy compound - Phenol ether - Dialkylarylamine - Aminopyridine - Imidolactam - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Pyrrolidine - Secondary alcohol - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Halomethane - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 449.800 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 449.107 Da |
| Monoisotopic Mass | 449.107 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 626.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-3-yl)pyridine-3-carboxamide - CAS No(1492952-73-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/6/N669772.jpg)