R7C
Summary
| Name: | (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one |
| Formula: | C6 H4 Br N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 258.032 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 6-bromanyl-3-oxidanyl-2-(1~{H}-1,2,3,4-tetrazol-5-yl)-1~{H}-pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1=C(NC(Br)=CC1=O)c1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C6H4BrN5O2/c7-3-1-2(13)5(14)4(8-3)6-9-11-12-10-6/h1,14H,(H,8,13)(H,9,10,11,12) |
| InChIKey | InChI | 1.06 | NKFDRBNQGNFXBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(NC(=CC1=O)Br)c2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | OC1=C(NC(=CC1=O)Br)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)c2[nH]nnn2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=C(C1=O)O)c2[nH]nnn2)Br |
