≥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=CC=NC(=C1)C2=NC(=CC(=N2)OC3=CC=C(C=C3)C#N)C(F)(F)F |
|---|---|
| IUPAC Name | 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile |
| InChIKey | YZUJNNMUOIKPGI-UHFFFAOYSA-N |
| INCHI | 1S/C17H9F3N4O/c18-17(19,20)14-9-15(25-12-6-4-11(10-21)5-7-12)24-16(23-14)13-3-1-2-8-22-13/h1-9H |
| Molecular Weight | 342.270 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpyrimidines |
| Alternative Parents | Diarylethers Phenoxy compounds Phenol ethers Benzonitriles Pyridines and derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - Diaryl ether - Phenoxy compound - Benzonitrile - Phenol ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Azacycle - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
| Molecular Weight | 342.270 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 342.073 Da |
| Monoisotopic Mass | 342.073 Da |
| Topological Polar Surface Area | 71.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| 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 |
![4-{[2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile - ≥90% , CAS No.338754-15-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)