![Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide structure](/static/products/1016/101676-59-9.webp)
Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide
TL;DR: Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide (CAS 101676-59-9) is a chemical compound with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-nitrophenyl)ethynyl]-1-oxidopyridin-1-ium
Also Known As: Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide, 4-[(4-nitrophenyl)ethynyl]pyridine 1-oxide, 4-[2-(4-nitrophenyl)ethynyl]-1-oxido-pyridine, 4-[2-(4-nitrophenyl)ethynyl]-1-oxidopyridin-1-ium, Pyridine, 4-[2-(4-nitrophenyl)ethynyl]-, 1-oxide
| Molecular Formula | C13H8N2O3 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.628 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.0535 |
| Heavy Atoms | 18 |
| Complexity | 622.0262 |
Chemical Identifiers
| CAS Number | 101676-59-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC2=CC=[N+](C=C2)[O-])[N+](=O)[O-] |
Product Overview
Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide (CAS 101676-59-9), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 4-[2-(4-nitrophenyl)ethynyl]-1-oxidopyridin-1-ium.
Chemical Property Profile of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide
Property Insights of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide
The XLogP value of 1.628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide. Following Lipinski's Rule of Five, Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-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 Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide?
The CAS number of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide is 101676-59-9.
What is the molecular formula of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide?
The molecular formula of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide is C13H8N2O3.
What is the molecular weight of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide?
The molecular weight of Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide is 240.05 g/mol.
Where can I buy Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide?
You can request a quote for Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-[(4-nitrophenyl)ethynyl]-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.