Methyl 6-chloro-4-(trifluoromethyl)nicotinate
TL;DR: Methyl 6-chloro-4-(trifluoromethyl)nicotinate (CAS 1360934-51-5) is a chemical compound with molecular formula C8H5ClF3NO2 and molecular weight 238.9961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: METHYL 6-CHLORO-4-(TRIFLUOROMETHYL)NICOTINATE, methyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate, 8616AD, 3-Pyridinecarboxylic acid, 6-chloro-4-(trifluoromethyl)-, methyl ester, methyl 6-chloro-4-trifluoromethylnicotinate
Technical Specifications
| Molecular Formula | C8H5ClF3NO2 |
| Molecular Weight | 238.9961 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.9961 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | COC(=O)C1=CN=C(C=C1C(F)(F)F)Cl |
| InChIKey | CFJDLJIDLYBQQY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 6-chloro-4-(trifluoromethyl)nicotinate
Property Insights of Methyl 6-chloro-4-(trifluoromethyl)nicotinate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-chloro-4-(trifluoromethyl)nicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Methyl 6-chloro-4-(trifluoromethyl)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-chloro-4-(trifluoromethyl)nicotinate has 0 hydrogen bond donor(s) and 6 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 6-chloro-4-(trifluoromethyl)nicotinate?
The CAS number of Methyl 6-chloro-4-(trifluoromethyl)nicotinate is 1360934-51-5.
What is the molecular formula of Methyl 6-chloro-4-(trifluoromethyl)nicotinate?
The molecular formula of Methyl 6-chloro-4-(trifluoromethyl)nicotinate is C8H5ClF3NO2.
What is the molecular weight of Methyl 6-chloro-4-(trifluoromethyl)nicotinate?
The molecular weight of Methyl 6-chloro-4-(trifluoromethyl)nicotinate is 238.9961 g/mol.
Where can I buy Methyl 6-chloro-4-(trifluoromethyl)nicotinate?
You can request a quote for Methyl 6-chloro-4-(trifluoromethyl)nicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 6-chloro-4-(trifluoromethyl)nicotinate?
Yes, CoreyChem provides custom synthesis services for Methyl 6-chloro-4-(trifluoromethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.