3-Bromo-4-nitropyridine N-oxide
TL;DR: 3-Bromo-4-nitropyridine N-oxide (CAS 1678-49-5) is a chemical compound with molecular formula C5H3BrN2O3 and molecular weight 217.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-nitro-1-oxidopyridin-1-ium
Also Known As: 3-Bromo-4-nitropyridine 1-oxide, 3-Bromo-4-nitropyridine N-oxide, null, Pyridine, 3-bromo-4-nitro-, 1-oxide, 3-bromo-4-nitro-1-oxidopyridin-1-ium
| Molecular Formula | C5H3BrN2O3 |
|---|---|
| Molecular Weight | 217.93 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.9327 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 1678-49-5 |
|---|---|
| SMILES | C1=C[N+](=CC(=C1[N+](=O)[O-])Br)[O-] |
| InChIKey | YZQMKADIENBVLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-nitropyridine N-oxide (CAS 1678-49-5), with molecular formula C5H3BrN2O3 and molecular weight 217.93 g/mol. IUPAC: 3-bromo-4-nitro-1-oxidopyridin-1-ium.
Chemical Property Profile of 3-Bromo-4-nitropyridine N-oxide
Property Insights of 3-Bromo-4-nitropyridine N-oxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-nitropyridine N-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-4-nitropyridine N-oxide. Following Lipinski's Rule of Five, 3-Bromo-4-nitropyridine N-oxide has 0 hydrogen bond donor(s) and 3 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 3-Bromo-4-nitropyridine N-oxide?
The CAS number of 3-Bromo-4-nitropyridine N-oxide is 1678-49-5.
What is the molecular formula of 3-Bromo-4-nitropyridine N-oxide?
The molecular formula of 3-Bromo-4-nitropyridine N-oxide is C5H3BrN2O3.
What is the molecular weight of 3-Bromo-4-nitropyridine N-oxide?
The molecular weight of 3-Bromo-4-nitropyridine N-oxide is 217.93 g/mol.
Where can I buy 3-Bromo-4-nitropyridine N-oxide?
You can request a quote for 3-Bromo-4-nitropyridine N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-nitropyridine N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-nitropyridine N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.