≥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 | C1CNCC2=C1N=CC(=C2)C(F)(F)F.Cl.Cl |
|---|---|
| IUPAC Name | 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine;dihydrochloride |
| InChIKey | QPRKCGXTEDAVEL-UHFFFAOYSA-N |
| INCHI | 1S/C9H9F3N2.2ClH/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7;;/h3,5,13H,1-2,4H2;2*1H |
| Isomeric SMILES | C1CNCC2=C1N=CC(=C2)C(F)(F)F.Cl.Cl |
| Alternate CAS | 870483-68-4 |
| PubChem CID | 66911465 |
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 | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Aralkylamines Pyridines and derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - Aralkylamine - Pyridine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Alkyl fluoride - Hydrochloride - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 275.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 274.025 Da |
| Monoisotopic Mass | 274.025 Da |
| Topological Polar Surface Area | 24.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 | 3 |
