2-Chloropyridine oxide
TL;DR: 2-Chloropyridine oxide (CAS 2402-95-1) is a chemical compound with molecular formula C5H4ClNO and molecular weight 129.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-oxidopyridin-1-ium
Also Known As: 2-Chloropyridine 1-oxide, 2-Chloropyridine N-oxide, 2-Chloropyridine-N-oxide, 2-Chloropyridine oxide, N-oxy-2-chlorpyridine
| Molecular Formula | C5H4ClNO |
|---|---|
| Molecular Weight | 129.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.99814 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 2402-95-1 |
|---|---|
| SMILES | C1=CC=[N+](C(=C1)Cl)[O-] |
| InChIKey | WYSRTEVFLQJJDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloropyridine oxide (CAS 2402-95-1), with molecular formula C5H4ClNO and molecular weight 129.00 g/mol. IUPAC: 2-chloro-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-Chloropyridine oxide
Property Insights of 2-Chloropyridine oxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloropyridine oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 2-Chloropyridine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloropyridine 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 2-Chloropyridine oxide?
The CAS number of 2-Chloropyridine oxide is 2402-95-1.
What is the molecular formula of 2-Chloropyridine oxide?
The molecular formula of 2-Chloropyridine oxide is C5H4ClNO.
What is the molecular weight of 2-Chloropyridine oxide?
The molecular weight of 2-Chloropyridine oxide is 129.00 g/mol.
Where can I buy 2-Chloropyridine oxide?
You can request a quote for 2-Chloropyridine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloropyridine oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloropyridine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.