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| Canonical Smiles | C1COC2=C(N1)C(=CN=C2)C=O |
|---|---|
| IUPAC Name | 2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine-8-carbaldehyde |
| InChIKey | AVPDOPKJJSOXSJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2O2/c11-5-6-3-9-4-7-8(6)10-1-2-12-7/h3-5,10H,1-2H2 |
| Isomeric SMILES | C1COC2=C(N1)C(=CN=C2)C=O |
| PubChem CID | 46318223 |
| Molecular Weight | 164.16 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridine carboxaldehydes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridine carboxaldehydes |
| Alternative Parents | Secondary alkylarylamines Aryl-aldehydes Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-pyridine carboxaldehyde - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl-aldehyde - Heteroaromatic compound - Vinylogous amide - Ether - Secondary amine - Oxacycle - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. |
| External Descriptors | Not available |
| Molecular Weight | 164.160 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.059 Da |
| Monoisotopic Mass | 164.059 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 174.000 |
| 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 |
![2,3-Dihydro-1H-pyrido[3,4-b][1,4]oxazine-8-carbaldehyde - CAS No(1203499-38-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D166448.png)