5-Bromo-2-methylpyridin-1-ium-1-olate
TL;DR: 5-Bromo-2-methylpyridin-1-ium-1-olate (CAS 31363-68-5) is a chemical compound with molecular formula C6H6BrNO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methyl-1-oxidopyridin-1-ium
Also Known As: 5-Bromo-2-methylpyridine N-oxide, 5-bromo-2-methylpyridine 1-oxide, 5-bromo-2-methyl-pyridine 1-oxide, 5-BROMO-2-METHYLPYRIDINE-N-OXIDE, 5-bromo-2-methyl-1-oxidopyridin-1-ium
| Molecular Formula | C6H6BrNO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 1.39092 |
| Topological Polar Surface Area | 26.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.96329 |
| Heavy Atoms | 9 |
| Complexity | 224.29788 |
Chemical Identifiers
| CAS Number | 31363-68-5 |
|---|---|
| SMILES | CC1=[N+](C=C(C=C1)Br)[O-] |
Product Overview
5-Bromo-2-methylpyridin-1-ium-1-olate (CAS 31363-68-5), with molecular formula C6H6BrNO and molecular weight 186.96 g/mol. IUPAC: 5-bromo-2-methyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 5-Bromo-2-methylpyridin-1-ium-1-olate
Property Insights of 5-Bromo-2-methylpyridin-1-ium-1-olate
The XLogP value of 1.39092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-methylpyridin-1-ium-1-olate. With a topological polar surface area (TPSA) of 26.94 Ų, 5-Bromo-2-methylpyridin-1-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-methylpyridin-1-ium-1-olate has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-methylpyridin-1-ium-1-olate?
The CAS number of 5-Bromo-2-methylpyridin-1-ium-1-olate is 31363-68-5.
What is the molecular formula of 5-Bromo-2-methylpyridin-1-ium-1-olate?
The molecular formula of 5-Bromo-2-methylpyridin-1-ium-1-olate is C6H6BrNO.
What is the molecular weight of 5-Bromo-2-methylpyridin-1-ium-1-olate?
The molecular weight of 5-Bromo-2-methylpyridin-1-ium-1-olate is 186.96 g/mol.
Where can I buy 5-Bromo-2-methylpyridin-1-ium-1-olate?
You can request a quote for 5-Bromo-2-methylpyridin-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-methylpyridin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-methylpyridin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.