TL;DR: 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid (CAS 1396965-24-4) is a chemical compound with molecular formula C8H8ClN3O4 and molecular weight 245.02034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoic acid
Also Known As: 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propanoic acid, 2-[(6-chloro-3-nitropyridin-2-yl)amino]propanoic acid, 2-[(6-chloro-3-nitro-2-pyridyl)amino]propanoic acid, 2-[(6-chloro-3-nitropyridin-2-yl)amino]propanoicacid
| Molecular Formula | C8H8ClN3O4 |
| Molecular Weight | 245.02034 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.02034 Da |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
| SMILES | CC(C(=O)O)NC1=C(C=CC(=N1)Cl)[N+](=O)[O-] |
| InChIKey | BIKAQDFSUOACQG-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid. Following Lipinski's Rule of Five, 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid is 1396965-24-4.
The molecular formula of 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid is C8H8ClN3O4.
The molecular weight of 2-[(6-Chloro-3-nitro-2-pyridinyl)amino]propanoic acid is 245.02034 g/mol.
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