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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C[Si](C)(C)C#CC1=C2C=CNC2=NC=C1C(F)(F)F |
|---|---|
| IUPAC Name | trimethyl-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]silane |
| InChIKey | NWYBHFXLBJIPMT-UHFFFAOYSA-N |
| INCHI | 1S/C13H13F3N2Si/c1-19(2,3)7-5-9-10-4-6-17-12(10)18-8-11(9)13(14,15)16/h4,6,8H,1-3H3,(H,17,18) |
| Isomeric SMILES | C[Si](C)(C)C#CC1=C2C=CNC2=NC=C1C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 50987485 |
| Molecular Weight | 282.34 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyridines |
| Alternative Parents | Pyridines and derivatives Pyrroles Heteroaromatic compounds Trialkylsilanes Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - Pyridine - Pyrrole - Heteroaromatic compound - Trialkylsilane - Azacycle - Organic metalloid salt - Alkylsilane - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organosilicon compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 282.340 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 282.08 Da |
| Monoisotopic Mass | 282.08 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 402.000 |
| 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 |