TL;DR: Isonicotinoyl azide, 2,6-dimethyl- (CAS 63905-53-3) is a chemical compound with molecular formula C8H8N4O and molecular weight 176.06981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylpyridine-4-carbonyl azide
Also Known As: 2,6-Dimethylisonicotinoyl azide, 2,6-dimethylpyridine-4-carbonyl azide, 2,6-Dimethylisonicotinoylazide, ISONICOTINOYL AZIDE, 2,6-DIMETHYL-, 4-Pyridinecarbonylazide,2,6-dimethyl
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.06981 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06981 Da |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
| SMILES | CC1=CC(=CC(=N1)C)C(=O)N=[N+]=[N-] |
| InChIKey | UGLDUZIFHBWJHR-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isonicotinoyl azide, 2,6-dimethyl-. With a topological polar surface area (TPSA) of 44.3 Ų, Isonicotinoyl azide, 2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonicotinoyl azide, 2,6-dimethyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isonicotinoyl azide, 2,6-dimethyl- is 63905-53-3.
The molecular formula of Isonicotinoyl azide, 2,6-dimethyl- is C8H8N4O.
The molecular weight of Isonicotinoyl azide, 2,6-dimethyl- is 176.06981 g/mol.
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