UUS
Summary
| Name: | 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one |
| Formula: | C7 H8 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 218.048 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-1-(2-hydroxyethyl)pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1C(Br)=CC(N(C=1)CCO)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2 |
| InChIKey | InChI | 1.03 | GQPBXJHZWYTNFM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN1C=CC(=CC1=O)Br |
| SMILES | CACTVS | 3.385 | OCCN1C=CC(=CC1=O)Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)C=C1Br)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)C=C1Br)CCO |
