2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridine-3-carbonitrile
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-6519 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pyridine-3-carbonitrile |
| Molecular Weight: | 253.26 |
| Molecular Formula: | C14 H11 N3 O2 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C#N)cccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.1456 |
| logD: | 2.1456 |
| logSw: | -2.8235 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.332 |
| InChI Key: | RFIGSAREBPEMQD-UHFFFAOYSA-N |