XIE
Summary
| Name: | Nicotinaldehyde |
| Synonyms: | NICOTINALDEHYDE |
| Formula: | C6 H5 N O |
| Formal charge: | 0 |
| Formula weight: | 107.11 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | pyridine-3-carbaldehyde |
| OpenEye OEToolkits | 3.1.0.0 | pyridine-3-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=Cc1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H |
| InChIKey | InChI | 1.06 | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1cccnc1 |
| SMILES | CACTVS | 3.385 | O=Cc1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cnc1)C=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cnc1)C=O |
