| Canonical Smiles | CC1=CC(=CN=C1OCC(F)(F)F)Br |
|---|---|
| IUPAC Name | 5-bromo-3-methyl-2-(2,2,2-trifluoroethoxy)pyridine |
| InChIKey | LEFHFXVPBQVHRP-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrF3NO/c1-5-2-6(9)3-13-7(5)14-4-8(10,11)12/h2-3H,4H2,1H3 |
| Molecular Weight | 270.05 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl aryl ethers |
| Alternative Parents | Methylpyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl aryl ether - Methylpyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 270.050 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 268.966 Da |
| Monoisotopic Mass | 268.966 Da |
| Topological Polar Surface Area | 22.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
