2,5,6-Trichloronicotinic acid
TL;DR: 2,5,6-Trichloronicotinic acid (CAS 54718-39-7) is a chemical compound with molecular formula C6H2Cl3NO2 and molecular weight 224.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,6-trichloropyridine-3-carboxylic acid
Also Known As: 2,5,6-trichloronicotinic acid, 2,5,6-trichloropyridine-3-carboxylic Acid, 2,5,6-trichloronicotinicacid, 2,5,6-Trichloro-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 2,5,6-trichloro-
| Molecular Formula | C6H2Cl3NO2 |
|---|---|
| Molecular Weight | 224.92 g/mol |
| LogP | 2.74 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.91512 |
| Heavy Atoms | 12 |
| Complexity | 339.81024 |
Chemical Identifiers
| CAS Number | 54718-39-7 |
|---|---|
| SMILES | C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O |
Product Overview
2,5,6-Trichloronicotinic acid (CAS 54718-39-7), with molecular formula C6H2Cl3NO2 and molecular weight 224.92 g/mol. IUPAC: 2,5,6-trichloropyridine-3-carboxylic acid.
Chemical Property Profile of 2,5,6-Trichloronicotinic acid
Property Insights of 2,5,6-Trichloronicotinic acid
The XLogP value of 2.74 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5,6-Trichloronicotinic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 2,5,6-Trichloronicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5,6-Trichloronicotinic acid has 1 hydrogen bond donor(s) and 2 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 2,5,6-Trichloronicotinic acid?
The CAS number of 2,5,6-Trichloronicotinic acid is 54718-39-7.
What is the molecular formula of 2,5,6-Trichloronicotinic acid?
The molecular formula of 2,5,6-Trichloronicotinic acid is C6H2Cl3NO2.
What is the molecular weight of 2,5,6-Trichloronicotinic acid?
The molecular weight of 2,5,6-Trichloronicotinic acid is 224.92 g/mol.
Where can I buy 2,5,6-Trichloronicotinic acid?
You can request a quote for 2,5,6-Trichloronicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6-Trichloronicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6-Trichloronicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.