4-Nitronicotinic acid N-oxide
TL;DR: 4-Nitronicotinic acid N-oxide (CAS 118014-08-7) is a chemical compound with molecular formula C6H4N2O5 and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid
Also Known As: 4-Nitronicotinic acid N-oxide, 3-Carboxy-4-nitropyridine 1-oxide, 4-nitronicotinic acid 1-oxide, Dichlorodi-n-pentylsilane, 4-Nitronicotinic acidn-oxide
| Molecular Formula | C6H4N2O5 |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.01202 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 118014-08-7 |
|---|---|
| SMILES | C1=C[N+](=CC(=C1[N+](=O)[O-])C(=O)O)[O-] |
| InChIKey | OYLXIYDCLHUDQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitronicotinic acid N-oxide (CAS 118014-08-7), with molecular formula C6H4N2O5 and molecular weight 184.01 g/mol. IUPAC: 4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid.
Chemical Property Profile of 4-Nitronicotinic acid N-oxide
Property Insights of 4-Nitronicotinic acid N-oxide
The XLogP value of -0.8 indicates that 4-Nitronicotinic acid N-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitronicotinic acid N-oxide. Following Lipinski's Rule of Five, 4-Nitronicotinic acid N-oxide has 1 hydrogen bond donor(s) and 5 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-Nitronicotinic acid N-oxide?
The CAS number of 4-Nitronicotinic acid N-oxide is 118014-08-7.
What is the molecular formula of 4-Nitronicotinic acid N-oxide?
The molecular formula of 4-Nitronicotinic acid N-oxide is C6H4N2O5.
What is the molecular weight of 4-Nitronicotinic acid N-oxide?
The molecular weight of 4-Nitronicotinic acid N-oxide is 184.01 g/mol.
Where can I buy 4-Nitronicotinic acid N-oxide?
You can request a quote for 4-Nitronicotinic acid N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitronicotinic acid N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitronicotinic acid N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.