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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.
| Sonrisas canónicas | C1CNCC1N2C3=C(C=CC=N3)N=C2C(F)(F)F |
|---|---|
| IUPAC Name | 3-[(3S)-pyrrolidin-3-yl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine |
| InChIKey | VGODKWRHTYKUIJ-ZETCQYMHSA-N |
| INCHI | 1S/C11H11F3N4/c12-11(13,14)10-17-8-2-1-4-16-9(8)18(10)7-3-5-15-6-7/h1-2,4,7,15H,3,5-6H2/t7-/m0/s1 |
| Isómeros SMILES | C1CNC[C@H]1N2C3=C(C=CC=N3)N=C2C(F)(F)F |
| PubChem CID | 71302847 |
| Peso molecular | 256.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazopyridines |
| Alternative Parents | Pyridines and derivatives N-substituted imidazoles Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazopyridine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Peso molecular | 256.230 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 256.094 Da |
| Monoisotopic Mass | 256.094 Da |
| Topological Polar Surface Area | 42.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |