4-Nitronicotinic acid
TL;DR: 4-Nitronicotinic acid (CAS 100367-58-6) is a chemical compound with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitropyridine-3-carboxylic acid
Also Known As: 4-Nitronicotinic acid, 4-nitropyridine-3-carboxylic Acid, 4-nitro-3-pyridinecarboxylic acid, 4-Nitronicotinicacid, 4-Cyanopyridine-N-oxide
| Molecular Formula | C6H4N2O4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 0.688 |
| Topological Polar Surface Area | 93.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0171 |
| Heavy Atoms | 12 |
| Complexity | 303.0749 |
Chemical Identifiers
| CAS Number | 100367-58-6 |
|---|---|
| SMILES | C1=CN=CC(=C1[N+](=O)[O-])C(=O)O |
Product Overview
4-Nitronicotinic acid (CAS 100367-58-6), with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol. IUPAC: 4-nitropyridine-3-carboxylic acid.
Chemical Property Profile of 4-Nitronicotinic acid
Property Insights of 4-Nitronicotinic acid
The XLogP value of 0.688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitronicotinic acid. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitronicotinic acid. Following Lipinski's Rule of Five, 4-Nitronicotinic acid has 1 hydrogen bond donor(s) and 4 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?
The CAS number of 4-Nitronicotinic acid is 100367-58-6.
What is the molecular formula of 4-Nitronicotinic acid?
The molecular formula of 4-Nitronicotinic acid is C6H4N2O4.
What is the molecular weight of 4-Nitronicotinic acid?
The molecular weight of 4-Nitronicotinic acid is 168.02 g/mol.
Where can I buy 4-Nitronicotinic acid?
You can request a quote for 4-Nitronicotinic acid 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?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitronicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.