TL;DR: 5-Bromopyridine-3,4-diamine (CAS 4635-08-9) is a chemical compound with molecular formula C5H6BrN3 and molecular weight 186.9745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromopyridine-3,4-diamine
Also Known As: 5-bromopyridine-3,4-diamine, 5-Bromo-3,4-diaminopyridine, 3,4-Diamino-5-bromopyridine, 5-bromo-pyridine-3,4-diamine, 3-Bromo-4,5-diaminopyridine
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H6BrN3 |
| Molecular Weight | 186.9745 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.9745 Da |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| SMILES | C1=C(C(=C(C=N1)Br)N)N |
| InChIKey | CMFSWSZEHYPECE-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromopyridine-3,4-diamine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromopyridine-3,4-diamine. Following Lipinski's Rule of Five, 5-Bromopyridine-3,4-diamine has 2 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 5-Bromopyridine-3,4-diamine is 4635-08-9.
The molecular formula of 5-Bromopyridine-3,4-diamine is C5H6BrN3.
The molecular weight of 5-Bromopyridine-3,4-diamine is 186.9745 g/mol.
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