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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=NC(=C1)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O |
|---|---|
| IUPAC Name | 7-[(pyridin-2-ylamino)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol |
| InChIKey | INVQPPWIRWLBBU-UHFFFAOYSA-N |
| INCHI | 1S/C22H16F3N3O/c23-22(24,25)16-9-6-15(7-10-16)19(28-18-5-1-2-12-26-18)17-11-8-14-4-3-13-27-20(14)21(17)29/h1-13,19,29H,(H,26,28) |
| Isomeric SMILES | C1=CC=NC(=C1)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O |
| Alternate CAS | 325474-22-4 |
| PubChem CID | 4085269 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | 8-hydroxyquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 8-hydroxyquinolines |
| Alternative Parents | Trifluoromethylbenzenes Aminopyridines and derivatives 1-hydroxy-4-unsubstituted benzenoids Imidolactams Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 8-hydroxyquinoline - Trifluoromethylbenzene - Aminopyridine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Amine - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Molecular Weight | 395.400 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 395.125 Da |
| Monoisotopic Mass | 395.125 Da |
| Topological Polar Surface Area | 58.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 524.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |