4-Nitropyridine
TL;DR: 4-Nitropyridine (CAS 1122-61-8) is a chemical compound with molecular formula C5H4N2O2 and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitropyridine
Also Known As: 4-Nitropyridine, Pyridine, 4-nitro-, 4-nitro-pyridine, Pyridine,4-nitro, gamma-Nitropyridine
| Molecular Formula | C5H4N2O2 |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.027275 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 1122-61-8 |
|---|---|
| SMILES | C1=CN=CC=C1[N+](=O)[O-] |
| InChIKey | FEXIEMAAKBNTFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitropyridine (CAS 1122-61-8), with molecular formula C5H4N2O2 and molecular weight 124.03 g/mol. IUPAC: 4-nitropyridine.
Chemical Property Profile of 4-Nitropyridine
Property Insights of 4-Nitropyridine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitropyridine. With a topological polar surface area (TPSA) of 58.7 Ų, 4-Nitropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitropyridine 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 4-Nitropyridine?
The CAS number of 4-Nitropyridine is 1122-61-8.
What is the molecular formula of 4-Nitropyridine?
The molecular formula of 4-Nitropyridine is C5H4N2O2.
What is the molecular weight of 4-Nitropyridine?
The molecular weight of 4-Nitropyridine is 124.03 g/mol.
Where can I buy 4-Nitropyridine?
You can request a quote for 4-Nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.