TNI
Summary
| Name: | 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde |
| Formula: | C13 H8 Br2 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 405.469 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-3-[(3-bromanyl-4-chloranyl-phenyl)methoxy]pyridine-2-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(Br)c1 |
| InChI | InChI | 1.06 | InChI=1S/C13H8Br2ClNO2/c14-9-4-13(12(6-18)17-5-9)19-7-8-1-2-11(16)10(15)3-8/h1-6H,7H2 |
| InChIKey | InChI | 1.06 | OOQAVDHJTTURSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(COc2cc(Br)cnc2C=O)cc1Br |
| SMILES | CACTVS | 3.385 | Clc1ccc(COc2cc(Br)cnc2C=O)cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1COc2cc(cnc2C=O)Br)Br)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1COc2cc(cnc2C=O)Br)Br)Cl |
