Methyl 2,6-dichloroisonicotinate
TL;DR: Methyl 2,6-dichloroisonicotinate (CAS 42521-09-5) is a chemical compound with molecular formula C7H5Cl2NO2 and molecular weight 204.96973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2,6-dichloropyridine-4-carboxylate
Also Known As: Methyl 2,6-dichloroisonicotinate, Methyl 2,6-dichloropyridine-4-carboxylate, Methyl2,6-dichloroisonicotinate, methyl-2,6-dichlorisonicotinat, methyl-2,6-dichloroisonicotinate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 204.96973 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.96973 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | COC(=O)C1=CC(=NC(=C1)Cl)Cl |
| InChIKey | XSKGHSUHOYEBTK-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2,6-dichloroisonicotinate
Property Insights of Methyl 2,6-dichloroisonicotinate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-dichloroisonicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 2,6-dichloroisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6-dichloroisonicotinate 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 Methyl 2,6-dichloroisonicotinate?
The CAS number of Methyl 2,6-dichloroisonicotinate is 42521-09-5.
What is the molecular formula of Methyl 2,6-dichloroisonicotinate?
The molecular formula of Methyl 2,6-dichloroisonicotinate is C7H5Cl2NO2.
What is the molecular weight of Methyl 2,6-dichloroisonicotinate?
The molecular weight of Methyl 2,6-dichloroisonicotinate is 204.96973 g/mol.
Where can I buy Methyl 2,6-dichloroisonicotinate?
You can request a quote for Methyl 2,6-dichloroisonicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2,6-dichloroisonicotinate?
Yes, CoreyChem provides custom synthesis services for Methyl 2,6-dichloroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.