≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC1=CC(=C(C=C1)OC)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O |
|---|---|
| IUPAC Name | 11-(2,5-dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one |
| InChIKey | YRQAAFSLEDBOMM-UHFFFAOYSA-N |
| INCHI | 1S/C19H13F3N2O4S/c1-27-8-3-4-13(28-2)9(5-8)11-6-10(19(20,21)22)15-16-17(29-18(15)23-11)12(25)7-14(26)24-16/h3-7H,1-2H3,(H2,24,25,26) |
| Isomeric SMILES | COC1=CC(=C(C=C1)OC)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O |
| PubChem CID | 54686069 |
| Molecular Weight | 422.38 |
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 | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Dimethoxybenzenes Thienopyridines Anisoles Phenoxy compounds Hydroxypyridines Alkyl aryl ethers Pyridinones Heteroaromatic compounds Vinylogous acids Thiophenes Lactams Azacyclic compounds Alkyl fluorides Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - P-dimethoxybenzene - Dimethoxybenzene - Thienopyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Hydroxypyridine - Pyridinone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Thiophene - Lactam - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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 | 422.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 422.055 Da |
| Monoisotopic Mass | 422.055 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 676.000 |
| 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 |
![7-(2,5-dimethoxyphenyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2',3':4,5]thieno[2,3-b]pyridin-2(1H)-one - ≥90% , CAS No.626227-93-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)