| Canonical Smiles | C1=C(C(=CN=C1Br)N)C=O |
|---|---|
| IUPAC Name | 5-amino-2-bromopyridine-4-carbaldehyde |
| InChIKey | GMVNVPABAXNXMK-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrN2O/c7-6-1-4(3-10)5(8)2-9-6/h1-3H,8H2 |
| Molecular Weight | 201.02 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridine carboxaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridine carboxaldehydes |
| Alternative Parents | Aryl-aldehydes Aminopyridines and derivatives 2-halopyridines Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-pyridine carboxaldehyde - Aminopyridine - 2-halopyridine - Aryl-aldehyde - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Azacycle - Aldehyde - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. |
| External Descriptors | Not available |
| Molecular Weight | 201.020 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 199.959 Da |
| Monoisotopic Mass | 199.959 Da |
| Topological Polar Surface Area | 56.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 131.000 |
| 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 |
