5-Nitronicotinic acid
TL;DR: 5-Nitronicotinic acid (CAS 2047-49-6) 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.
5-nitropyridine-3-carboxylic acid
Also Known As: 5-NITRONICOTINIC ACID, 5-nitropyridine-3-carboxylic Acid, 5-Nitronicotinicacid, 5-Nitro Nicotinic Acid, 3-Pyridinecarboxylic acid, 5-nitro-
| 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 | 306.8249 |
Chemical Identifiers
| CAS Number | 2047-49-6 |
|---|---|
| SMILES | C1=C(C=NC=C1[N+](=O)[O-])C(=O)O |
Product Overview
5-Nitronicotinic acid (CAS 2047-49-6), with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol. IUPAC: 5-nitropyridine-3-carboxylic acid.
Chemical Property Profile of 5-Nitronicotinic acid
Property Insights of 5-Nitronicotinic acid
The XLogP value of 0.688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitronicotinic acid. The TPSA of 93.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitronicotinic acid. Following Lipinski's Rule of Five, 5-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 5-Nitronicotinic acid?
The CAS number of 5-Nitronicotinic acid is 2047-49-6.
What is the molecular formula of 5-Nitronicotinic acid?
The molecular formula of 5-Nitronicotinic acid is C6H4N2O4.
What is the molecular weight of 5-Nitronicotinic acid?
The molecular weight of 5-Nitronicotinic acid is 168.02 g/mol.
Where can I buy 5-Nitronicotinic acid?
You can request a quote for 5-Nitronicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitronicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitronicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.