| Canonical Smiles | CC1=CC(=CN=C1Cl)CCl |
|---|---|
| IUPAC Name | 2-chloro-5-(chloromethyl)-3-methylpyridine |
| InChIKey | VUOXMMUURWOTAY-UHFFFAOYSA-N |
| INCHI | 1S/C7H7Cl2N/c1-5-2-6(3-8)4-10-7(5)9/h2,4H,3H2,1H3 |
| Isomeric SMILES | CC1=CC(=CN=C1Cl)CCl |
| PubChem CID | 11550077 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-halopyridines |
| Alternative Parents | Methylpyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyridine - Methylpyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 176.040 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.996 Da |
| Monoisotopic Mass | 174.996 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| 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 |
