4-Bromo-3-methylpyridine 1-oxide
TL;DR: 4-Bromo-3-methylpyridine 1-oxide (CAS 10168-58-8) 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.
4-bromo-3-methyl-1-oxidopyridin-1-ium
Also Known As: 4-Bromo-3-methylpyridine 1-oxide, 4-bromo-3-methyl-1-oxidopyridin-1-ium, 4-bromo-3-methylpyridine1-oxide, Pyridine, 4-bromo-3-methyl-, 1-oxide, 4-bromo-3-methylpyridine N-oxide
| Molecular Formula | C6H6BrNO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.96329 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 10168-58-8 |
|---|---|
| SMILES | CC1=C(C=C[N+](=C1)[O-])Br |
| InChIKey | KHPKSGWJJIGDTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-3-methylpyridine 1-oxide (CAS 10168-58-8), with molecular formula C6H6BrNO and molecular weight 186.96 g/mol. IUPAC: 4-bromo-3-methyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 4-Bromo-3-methylpyridine 1-oxide
Property Insights of 4-Bromo-3-methylpyridine 1-oxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-methylpyridine 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 4-Bromo-3-methylpyridine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-methylpyridine 1-oxide 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 4-Bromo-3-methylpyridine 1-oxide?
The CAS number of 4-Bromo-3-methylpyridine 1-oxide is 10168-58-8.
What is the molecular formula of 4-Bromo-3-methylpyridine 1-oxide?
The molecular formula of 4-Bromo-3-methylpyridine 1-oxide is C6H6BrNO.
What is the molecular weight of 4-Bromo-3-methylpyridine 1-oxide?
The molecular weight of 4-Bromo-3-methylpyridine 1-oxide is 186.96 g/mol.
Where can I buy 4-Bromo-3-methylpyridine 1-oxide?
You can request a quote for 4-Bromo-3-methylpyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-methylpyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-methylpyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.