2-Chloro-6-ethoxyisonicotinic acid
TL;DR: 2-Chloro-6-ethoxyisonicotinic acid (CAS 104086-11-5) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.01927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-6-ethoxypyridine-4-carboxylic acid
Also Known As: 2-Chloro-6-ethoxyisonicotinic acid, 2-chloro-6-ethoxypyridine-4-carboxylic acid, 2-Chloro-6-ethoxyisonicotinicacid, 4-Pyridinecarboxylicacid, 2-chloro-6-ethoxy-, 4-Pyridinecarboxylic acid, 2-chloro-6-ethoxy-
Technical Specifications
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.01927 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.01927 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | CCOC1=NC(=CC(=C1)C(=O)O)Cl |
| InChIKey | BQYNRDNXUDHSHD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-6-ethoxyisonicotinic acid
Property Insights of 2-Chloro-6-ethoxyisonicotinic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-ethoxyisonicotinic acid. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Chloro-6-ethoxyisonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-ethoxyisonicotinic 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
What is the CAS number of 2-Chloro-6-ethoxyisonicotinic acid?
The CAS number of 2-Chloro-6-ethoxyisonicotinic acid is 104086-11-5.
What is the molecular formula of 2-Chloro-6-ethoxyisonicotinic acid?
The molecular formula of 2-Chloro-6-ethoxyisonicotinic acid is C8H8ClNO3.
What is the molecular weight of 2-Chloro-6-ethoxyisonicotinic acid?
The molecular weight of 2-Chloro-6-ethoxyisonicotinic acid is 201.01927 g/mol.
Where can I buy 2-Chloro-6-ethoxyisonicotinic acid?
You can request a quote for 2-Chloro-6-ethoxyisonicotinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-6-ethoxyisonicotinic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-6-ethoxyisonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.