TL;DR: 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid (CAS 1397006-51-7) is a chemical compound with molecular formula C10H9BrN2O5 and molecular weight 315.96948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-bromopyridine-3-carbonyl)amino]butanedioic acid
Also Known As: 2-(5-bromonicotinamido)succinic acid, 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid, N-[(5-bromopyridin-3-yl)carbonyl]aspartic acid
| Molecular Formula | C10H9BrN2O5 |
| Molecular Weight | 315.96948 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.96948 Da |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
| SMILES | C1=C(C=NC=C1Br)C(=O)NC(CC(=O)O)C(=O)O |
| InChIKey | LYVVJMPZFAGMTC-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid. Following Lipinski's Rule of Five, 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid has 3 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-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid is 1397006-51-7.
The molecular formula of 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid is C10H9BrN2O5.
The molecular weight of 2-[(5-bromopyridine-3-carbonyl)amino]butanedioic Acid is 315.96948 g/mol.
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