≥95% 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.
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCC2=C(C(=CN=C2C1)C#N)Br |
|---|---|
| IUPAC Name | tert-butyl 4-bromo-3-cyano-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate |
| InChIKey | KBQXIRVETIKYRN-UHFFFAOYSA-N |
| INCHI | 1S/C14H16BrN3O2/c1-14(2,3)20-13(19)18-5-4-10-11(8-18)17-7-9(6-16)12(10)15/h7H,4-5,8H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCC2=C(C(=CN=C2C1)C#N)Br |
| CAS alternativo | 1333996-55-6 |
| PubChem CID | 54757104 |
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 |
| Clase | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridine carboxylic acids and derivatives |
| Alternative Parents | Pyridines and derivatives Aryl bromides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine carboxylic acid - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group. |
| External Descriptors | Not available |
| Peso molecular | 338.200 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 337.043 Da |
| Monoisotopic Mass | 337.043 Da |
| Topological Polar Surface Area | 66.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| 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 |
