| Canonical Smiles | C1=CC(=NC=C1Br)C(=O)NN |
|---|---|
| IUPAC Name | 5-bromopyridine-2-carbohydrazide |
| InChIKey | ILFSNCKFUDLHIO-UHFFFAOYSA-N |
| INCHI | 1S/C6H6BrN3O/c7-4-1-2-5(9-3-4)6(11)10-8/h1-3H,8H2,(H,10,11) |
| Molecular Weight | 216.04 |
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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 and derivatives |
| Alternative Parents | Aryl bromides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 216.040 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 214.969 Da |
| Monoisotopic Mass | 214.969 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 153.000 |
| 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 |
