| Canonical Smiles | C1CNCC2=C1C(=NC=C2)Cl.Cl |
|---|---|
| IUPAC Name | 5-chloro-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride |
| InChIKey | OXODRHAIPNLKKU-UHFFFAOYSA-N |
| INCHI | 1S/C8H9ClN2.ClH/c9-8-7-2-3-10-5-6(7)1-4-11-8;/h1,4,10H,2-3,5H2;1H |
| Molecular Weight | 205.08 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Aralkylamines 2-halopyridines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - 2-halopyridine - Aralkylamine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 205.080 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 204.022 Da |
| Monoisotopic Mass | 204.022 Da |
| Topological Polar Surface Area | 24.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 | 2 |
