| Canonical Smiles | C1=C(C=NC(=C1Cl)C(=O)N)Br |
|---|---|
| IUPAC Name | 5-bromo-3-chloropyridine-2-carboxamide |
| InChIKey | IBGMXKTYUYHMEJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H4BrClN2O/c7-3-1-4(8)5(6(9)11)10-2-3/h1-2H,(H2,9,11) |
| Molecular Weight | 235.46 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxamides |
| Alternative Parents | Polyhalopyridines 2-heteroaryl carboxamides Aryl chlorides Aryl bromides Vinylogous halides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinecarboxamide - 2-heteroaryl carboxamide - Polyhalopyridine - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide. |
| External Descriptors | Not available |
| Molecular Weight | 235.460 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 233.92 Da |
| Monoisotopic Mass | 233.92 Da |
| Topological Polar Surface Area | 56.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 167.000 |
| 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 |
