V6V
Summary
| Name: | 5-bromo-3-methyl-1H-indole-2-carboxylic acid |
| Formula: | C10 H8 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 254.08 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-3-methyl-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-3-methyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc2c1c(ccc(c1)Br)nc2C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | YUMRTSLYUVLHQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c([nH]c2ccc(Br)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c([nH]c2ccc(Br)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2[nH]c1C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(ccc2[nH]c1C(=O)O)Br |
