| Canonical Smiles | CC1=CC=[N+](C=C1)C |
|---|---|
| IUPAC Name | 1,4-dimethylpyridin-1-ium |
| InChIKey | IZPNVUYQWBZYEA-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/q+1 |
| Molecular Weight | 108.160 |
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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 | N-methylpyridinium compounds |
| Alternative Parents | Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-methylpyridinium - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-methylpyridinium compounds. These are methylpyridines that carry a methyl group at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 108.160 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 108.081 Da |
| Monoisotopic Mass | 108.081 Da |
| Topological Polar Surface Area | 3.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 1 |
| Complexity | 62.800 |
| 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 |
