| Canonical Smiles | CC1=CC(=CN=C1C(=O)N)Br |
|---|---|
| IUPAC Name | 5-bromo-3-methylpyridine-2-carboxamide |
| InChIKey | MKNANAVYPACJGZ-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BrN2O/c1-4-2-5(8)3-10-6(4)7(9)11/h2-3H,1H3,(H2,9,11) |
| Isomeric SMILES | CC1=CC(=CN=C1C(=O)N)Br |
| PubChem CID | 68522513 |
| Molecular Weight | 215.047 |
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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 | Polyhalopyridines Methylpyridines 2-halopyridines Fatty amides Secondary ketimines Heteroaromatic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Carboxylic acid amides Bromoalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid or derivatives - Polyhalopyridine - 2-halopyridine - Methylpyridine - Fatty acyl - Fatty amide - Heteroaromatic compound - Secondary ketimine - Ketimine - Carboxamide group - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Imine - 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 | 215.050 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 213.974 Da |
| Monoisotopic Mass | 213.974 Da |
| Topological Polar Surface Area | 56.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
