3-Nitroisonicotinamide
TL;DR: 3-Nitroisonicotinamide (CAS 59290-91-4) is a chemical compound with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropyridine-4-carboxamide
Also Known As: 3-Nitroisonicotinamide, 3-nitropyridine-4-carboxamide, 3-Nitro-isonicotinamide, 3-Nitroisonicotinamide #, 4-Pyridinecarboxamide, 3-nitro-
| Molecular Formula | C6H5N3O3 |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0331 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 59290-91-4 |
|---|---|
| SMILES | C1=CN=CC(=C1C(=O)N)[N+](=O)[O-] |
| InChIKey | NEUQZALGOQOMPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitroisonicotinamide (CAS 59290-91-4), with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol. IUPAC: 3-nitropyridine-4-carboxamide.
Chemical Property Profile of 3-Nitroisonicotinamide
Property Insights of 3-Nitroisonicotinamide
The XLogP value of -0.4 indicates that 3-Nitroisonicotinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitroisonicotinamide. Following Lipinski's Rule of Five, 3-Nitroisonicotinamide 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 3-Nitroisonicotinamide?
The CAS number of 3-Nitroisonicotinamide is 59290-91-4.
What is the molecular formula of 3-Nitroisonicotinamide?
The molecular formula of 3-Nitroisonicotinamide is C6H5N3O3.
What is the molecular weight of 3-Nitroisonicotinamide?
The molecular weight of 3-Nitroisonicotinamide is 167.03 g/mol.
Where can I buy 3-Nitroisonicotinamide?
You can request a quote for 3-Nitroisonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitroisonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitroisonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.