| Sonrisas canónicas | CN1CCC(=CC1)Br.Br |
|---|---|
| IUPAC Name | 4-bromo-1-methyl-3,6-dihydro-2H-pyridine;hydrobromide |
| InChIKey | SWUKRCXLXXYOET-UHFFFAOYSA-N |
| INCHI | 1S/C6H10BrN.BrH/c1-8-4-2-6(7)3-5-8;/h2H,3-5H2,1H3;1H |
| Isómeros SMILES | CN1CCC(=CC1)Br.Br |
| PubChem CID | 86280179 |
| Peso molecular | 256.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydropyridines |
| Alternative Parents | Trialkylamines Vinyl bromides Bromoalkenes Azacyclic compounds Organobromides Hydrocarbon derivatives Hydrobromides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydropyridine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Amine - Hydrobromide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.). |
| External Descriptors | Not available |
| Peso molecular | 256.970 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 256.924 Da |
| Monoisotopic Mass | 254.926 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 109.000 |
| 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 | 2 |
