A1AY3
Summary
| Name: | 3-bromo-1H-pyrazolo[3,4-c]pyridine |
| Formula: | C6 H4 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 198.02 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-1H-pyrazolo[3,4-c]pyridine |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-1~{H}-pyrazolo[3,4-c]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1n[NH]c2cnccc21 |
| InChI | InChI | 1.06 | InChI=1S/C6H4BrN3/c7-6-4-1-2-8-3-5(4)9-10-6/h1-3H,(H,9,10) |
| InChIKey | InChI | 1.06 | ANQCOJNSEVIFFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1n[nH]c2cnccc12 |
| SMILES | CACTVS | 3.385 | Brc1n[nH]c2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc2c1c(n[nH]2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc2c1c(n[nH]2)Br |
