2-bromopyridine-3-sulfonic Acid
TL;DR: 2-bromopyridine-3-sulfonic Acid (CAS 111454-61-6) is a chemical compound with molecular formula C5H4BrNO3S and molecular weight 236.90953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromopyridine-3-sulfonic acid
Also Known As: 2-bromopyridine-3-sulfonic Acid, 2-Bromo-3-pyridinesulfonic acid, 3-Pyridinesulfonicacid, 2-bromo-, 3-Pyridinesulfonicacid,2-bromo, 2,4,6-TRICHLOROBENZOIC ACID
Technical Specifications
| Molecular Formula | C5H4BrNO3S |
| Molecular Weight | 236.90953 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.90953 Da |
| Heavy Atoms | 11 |
| Complexity | 222.0 |
| SMILES | C1=CC(=C(N=C1)Br)S(=O)(=O)O |
| InChIKey | DZFSXWCQODHIDS-UHFFFAOYSA-N |
Chemical Property Profile of 2-bromopyridine-3-sulfonic Acid
Property Insights of 2-bromopyridine-3-sulfonic Acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromopyridine-3-sulfonic Acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromopyridine-3-sulfonic Acid. Following Lipinski's Rule of Five, 2-bromopyridine-3-sulfonic Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-bromopyridine-3-sulfonic Acid?
The CAS number of 2-bromopyridine-3-sulfonic Acid is 111454-61-6.
What is the molecular formula of 2-bromopyridine-3-sulfonic Acid?
The molecular formula of 2-bromopyridine-3-sulfonic Acid is C5H4BrNO3S.
What is the molecular weight of 2-bromopyridine-3-sulfonic Acid?
The molecular weight of 2-bromopyridine-3-sulfonic Acid is 236.90953 g/mol.
Where can I buy 2-bromopyridine-3-sulfonic Acid?
You can request a quote for 2-bromopyridine-3-sulfonic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-bromopyridine-3-sulfonic Acid?
Yes, CoreyChem provides custom synthesis services for 2-bromopyridine-3-sulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.