| Canonical Smiles | COC1=NC=C(C2=C1N=CC=C2)Br |
|---|---|
| IUPAC Name | 5-bromo-8-methoxy-1,7-naphthyridine |
| InChIKey | GJKRAZSBXOSEDJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrN2O/c1-13-9-8-6(3-2-4-11-8)7(10)5-12-9/h2-5H,1H3 |
| Isomeric SMILES | COC1=NC=C(C2=C1N=CC=C2)Br |
| PubChem CID | 71777752 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Alkyl aryl ethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen 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 These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings.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 | 239.070 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 237.974 Da |
| Monoisotopic Mass | 237.974 Da |
| Topological Polar Surface Area | 35.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 |
