| Canonical Smiles | CC1=[N+](C=C(C=C1)Cl)[O-] |
|---|---|
| IUPAC Name | 5-chloro-2-methyl-1-oxidopyridin-1-ium |
| InChIKey | BFQMZTXMCAPZAK-UHFFFAOYSA-N |
| INCHI | 1S/C6H6ClNO/c1-5-2-3-6(7)4-8(5)9/h2-4H,1H3 |
| Molecular Weight | 143.57 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Methylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methylpyridines |
| Alternative Parents | Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methylpyridine - Pyridinium - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. |
| External Descriptors | Not available |
| Molecular Weight | 143.570 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 143.014 Da |
| Monoisotopic Mass | 143.014 Da |
| Topological Polar Surface Area | 25.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 99.100 |
| 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 |
