| Canonical Smiles | C1=C(N=CC(=C1Cl)Br)C#N |
|---|---|
| IUPAC Name | 5-bromo-4-chloropyridine-2-carbonitrile |
| InChIKey | TXTOPSRIDSCHBU-UHFFFAOYSA-N |
| INCHI | 1S/C6H2BrClN2/c7-5-3-10-4(2-9)1-6(5)8/h1,3H |
| Molecular Weight | 217.45 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | Aryl chlorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Cyanide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 217.450 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 215.909 Da |
| Monoisotopic Mass | 215.909 Da |
| Topological Polar Surface Area | 36.700 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| 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 |
