≥90% 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=CC2=C(C3=C(N2C=C1)C=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl)C#N |
|---|---|
| IUPAC Name | 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxypyrido[1,2-a]indole-10-carbonitrile |
| InChIKey | QBCCRWROVVZMOE-UHFFFAOYSA-N |
| INCHI | 1S/C19H9ClF3N3O/c20-15-7-11(19(21,22)23)10-25-18(15)27-12-4-5-13-14(9-24)16-3-1-2-6-26(16)17(13)8-12/h1-8,10H |
| Isomeric SMILES | C1=CC2=C(C3=C(N2C=C1)C=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl)C#N |
| PubChem CID | 1489007 |
| Molecular Weight | 387.75 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Indolizines Indoles Substituted pyrroles Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - Indole - Indole or derivatives - Indolizine - Pyrrolopyridine - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 387.700 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 387.039 Da |
| Monoisotopic Mass | 387.039 Da |
| Topological Polar Surface Area | 50.300 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 594.000 |
| 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 |
![3-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}pyrido[1,2-a]indole-10-carbonitrile - ≥90% , CAS No.478247-98-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)