2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 7706-1101 |
| Compound Name: | 2-amino-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C17 H12 Br N3 O4 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cc3c(cc2[Br])OCO3)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8418 |
| logD: | 1.8397 |
| logSw: | -2.5399 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.011 |
| InChI Key: | OVCPMIOZTFQXFY-CQSZACIVSA-N |