Ethyl 2,5-dichloronicotinate
TL;DR: Ethyl 2,5-dichloronicotinate (CAS 148065-10-5) is a chemical compound with molecular formula C8H7Cl2NO2 and molecular weight 218.98538 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,5-dichloropyridine-3-carboxylate
Also Known As: ethyl 2,5-dichloronicotinate, ethyl 2,5-dichloropyridine-3-carboxylate, ethyl2,5-dichloronicotinate, ZERO/004968, 3-Pyridinecarboxylic acid, 2,5-dichloro-, ethyl ester
Technical Specifications
| Molecular Formula | C8H7Cl2NO2 |
| Molecular Weight | 218.98538 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.98538 Da |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
| SMILES | CCOC(=O)C1=C(N=CC(=C1)Cl)Cl |
| InChIKey | WNYVXIWPEGGUKG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2,5-dichloronicotinate
Property Insights of Ethyl 2,5-dichloronicotinate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,5-dichloronicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2,5-dichloronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,5-dichloronicotinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2,5-dichloronicotinate?
The CAS number of Ethyl 2,5-dichloronicotinate is 148065-10-5.
What is the molecular formula of Ethyl 2,5-dichloronicotinate?
The molecular formula of Ethyl 2,5-dichloronicotinate is C8H7Cl2NO2.
What is the molecular weight of Ethyl 2,5-dichloronicotinate?
The molecular weight of Ethyl 2,5-dichloronicotinate is 218.98538 g/mol.
Where can I buy Ethyl 2,5-dichloronicotinate?
You can request a quote for Ethyl 2,5-dichloronicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,5-dichloronicotinate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,5-dichloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.