≥98% 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 | C1=CC(=CC=C1C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)COP(=O)(O)O)F |
|---|---|
| IUPAC Name | [3-[[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxopyridin-1-yl]methyl dihydrogen phosphate |
| InChIKey | KXDZWUPUSDCGDD-UHFFFAOYSA-N |
| INCHI | 1S/C24H18ClF2N4O7P/c25-21-20(7-8-29-23(21)28)38-19-6-5-15(9-18(19)27)30-24(33)17-11-31(12-37-39(34,35)36)10-16(22(17)32)13-1-3-14(26)4-2-13/h1-11H,12H2,(H2,28,29)(H,30,33)(H2,34,35,36) |
| Isomeric SMILES | C1=CC(=CC=C1C2=CN(C=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)COP(=O)(O)O)F |
| PubChem CID | 44137813 |
| Molecular Weight | 578.85 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | Phenylpyridines Diarylethers Nicotinamides Phenoxy compounds Phenol ethers Aminopyridines and derivatives Dihydropyridines Monoalkyl phosphates Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Cyclic ketones Azacyclic compounds Primary amines Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aromatic anilide - 3-phenylpyridine - Diaryl ether - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Aminopyridine - Dihydropyridine - Halobenzene - Monoalkyl phosphate - Fluorobenzene - Organic phosphoric acid derivative - Aryl chloride - Imidolactam - Alkyl phosphate - Pyridine - Hydropyridine - Phosphoric acid ester - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Cyclic ketone - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organonitrogen compound - Organochloride - Organofluoride - 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 578.800 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 578.057 Da |
| Monoisotopic Mass | 578.057 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| 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 |
