Ethyl 2-fluoroisonicotinate
TL;DR: Ethyl 2-fluoroisonicotinate (CAS 123412-95-3) is a chemical compound with molecular formula C8H8FNO2 and molecular weight 169.05391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-fluoropyridine-4-carboxylate
Also Known As: ethyl 2-fluoroisonicotinate, ethyl2-fluoroisonicotinate, ethyl 2-fluoropyridine-4-carboxylate, ethyl-2-fluoroisonicotinate, Ethyl 2-fluoro-4-pyridinecarboxylate
Technical Specifications
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.05391 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.05391 Da |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
| SMILES | CCOC(=O)C1=CC(=NC=C1)F |
| InChIKey | ROKPQNOTIZSSOF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-fluoroisonicotinate
Property Insights of Ethyl 2-fluoroisonicotinate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-fluoroisonicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2-fluoroisonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-fluoroisonicotinate has 0 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 Ethyl 2-fluoroisonicotinate?
The CAS number of Ethyl 2-fluoroisonicotinate is 123412-95-3.
What is the molecular formula of Ethyl 2-fluoroisonicotinate?
The molecular formula of Ethyl 2-fluoroisonicotinate is C8H8FNO2.
What is the molecular weight of Ethyl 2-fluoroisonicotinate?
The molecular weight of Ethyl 2-fluoroisonicotinate is 169.05391 g/mol.
Where can I buy Ethyl 2-fluoroisonicotinate?
You can request a quote for Ethyl 2-fluoroisonicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-fluoroisonicotinate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-fluoroisonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.