| Canonical Smiles | C1CCN(CC1)C2=C(C=C(C=N2)Br)C(=O)O |
|---|---|
| IUPAC Name | 5-bromo-2-piperidin-1-ylpyridine-3-carboxylic acid |
| InChIKey | FLTMCVUUIBGFEV-UHFFFAOYSA-N |
| INCHI | 1S/C11H13BrN2O2/c12-8-6-9(11(15)16)10(13-7-8)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16) |
| Isomeric SMILES | C1CCN(CC1)C2=C(C=C(C=N2)Br)C(=O)O |
| PubChem CID | 25918914 |
| Molecular Weight | 285.14 |
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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 | Pyridinecarboxylic acids |
| Alternative Parents | Dialkylarylamines Aminopyridines and derivatives Piperidines Imidolactams Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Piperidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 285.140 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 284.016 Da |
| Monoisotopic Mass | 284.016 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
