5-Acetamidonicotinic acid
TL;DR: 5-Acetamidonicotinic acid (CAS 82817-65-0) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamidopyridine-3-carboxylic acid
Also Known As: 5-Acetamidonicotinic acid, 5-acetamidopyridine-3-carboxylic acid, 5-acetamidonic acid, BROMOACETICACID-D3, 5-ACETAMIDONICOTINICACID
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 82817-65-0 |
|---|---|
| SMILES | CC(=O)NC1=CN=CC(=C1)C(=O)O |
| InChIKey | KMRQIJRSLWWZAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetamidonicotinic acid (CAS 82817-65-0), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 5-acetamidopyridine-3-carboxylic acid.
Chemical Property Profile of 5-Acetamidonicotinic acid
Property Insights of 5-Acetamidonicotinic acid
The XLogP value of -0.4 indicates that 5-Acetamidonicotinic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetamidonicotinic acid. Following Lipinski's Rule of Five, 5-Acetamidonicotinic acid has 2 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-Acetamidonicotinic acid?
The CAS number of 5-Acetamidonicotinic acid is 82817-65-0.
What is the molecular formula of 5-Acetamidonicotinic acid?
The molecular formula of 5-Acetamidonicotinic acid is C8H8N2O3.
What is the molecular weight of 5-Acetamidonicotinic acid?
The molecular weight of 5-Acetamidonicotinic acid is 180.05 g/mol.
Where can I buy 5-Acetamidonicotinic acid?
You can request a quote for 5-Acetamidonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetamidonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetamidonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.