WPV
Summary
| Name: | 1-(5-bromopyridin-3-yl)methanamine |
| Formula: | C6 H7 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 187.037 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-bromopyridin-3-yl)methanamine |
| OpenEye OEToolkits | 2.0.7 | (5-bromanylpyridin-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cc(cc(c1)Br)CN |
| InChI | InChI | 1.03 | InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2 |
| InChIKey | InChI | 1.03 | OQUHYNMITHDQLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cncc(Br)c1 |
| SMILES | CACTVS | 3.385 | NCc1cncc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cncc1Br)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cncc1Br)CN |
