2-(methylsulfanyl)-5-nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(methylsulfanyl)-5-nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile
2-(methylsulfanyl)-5-nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-5897 |
| Compound Name: | 2-(methylsulfanyl)-5-nitro-6-oxo-1,6-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 211.2 |
| Molecular Formula: | C7 H5 N3 O3 S |
| Smiles: | CSC1=C(C=C(C(N1)=O)[N+]([O-])=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 0.5873 |
| logD: | -5.1758 |
| logSw: | -2.1427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.624 |
| InChI Key: | KVVFAGDGXINNEL-UHFFFAOYSA-N |