W3D
Summary
| Name: | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid |
| Formula: | C7 H6 Br N O3 |
| Formal charge: | 0 |
| Formula weight: | 232.031 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromanyl-2-oxidanylidene-pyridin-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1=CN(C(C=C1Br)=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H6BrNO3/c8-5-1-2-9(4-7(11)12)6(10)3-5/h1-3H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | INCAMIFWGMKSNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN1C=CC(=CC1=O)Br |
| SMILES | CACTVS | 3.385 | OC(=O)CN1C=CC(=CC1=O)Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)C=C1Br)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)C=C1Br)CC(=O)O |
