≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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 | C1=CN(C(=O)C(=C1)C(=O)NC2=CC(=C(C=C2)OC3=C4C=CNC4=NC=C3)F)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide |
| InChIKey | OBSFXHDOLBYWRJ-UHFFFAOYSA-N |
| INCHI | 1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32) |
| Isomeric SMILES | C1=CN(C(=O)C(=C1)C(=O)NC2=CC(=C(C=C2)OC3=C4C=CNC4=NC=C3)F)C5=CC=C(C=C5)F |
| Alternate CAS | 888719-03-7 |
| PubChem CID | 21081761 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Diarylethers Pyrrolopyridines Nicotinamides Phenoxy compounds Phenol ethers Dihydropyridines Pyridinones Fluorobenzenes Aryl fluorides Vinylogous amides Pyrroles Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aromatic anilide - Diaryl ether - Nicotinamide - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Phenoxy compound - Phenol ether - Dihydropyridine - Fluorobenzene - Halobenzene - Pyridinone - Pyridine - Aryl fluoride - Aryl halide - Hydropyridine - Heteroaromatic compound - Pyrrole - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic 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 | 458.400 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 458.119 Da |
| Monoisotopic Mass | 458.119 Da |
| Topological Polar Surface Area | 87.300 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 829.000 |
| 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 |
![1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide - ≥99% CAS No(888719-03-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/F/1/F1071832.jpg)