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Methyl 2-[3-(trifluoromethyl)anilino]nicotinate
TL;DR: Methyl 2-[3-(trifluoromethyl)anilino]nicotinate (CAS 59361-45-4) is a chemical compound with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Also Known As: Niflumic acid methyl derivative, Niflumic Acid EP Impurity F, Niflumic acid, methyl ester, Methyl 2-[3-(trifluoromethyl)anilino]nicotinate, Methyl 2-((3-(trifluoromethyl)phenyl)amino)nicotinate
| Molecular Formula | C14H11F3N2O2 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.07727 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 59361-45-4 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | GDDOBIMJBJFCTR-UHFFFAOYSA-N |
Product Overview
Methyl 2-[3-(trifluoromethyl)anilino]nicotinate (CAS 59361-45-4), with molecular formula C14H11F3N2O2 and molecular weight 296.08 g/mol. IUPAC: methyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate.
Chemical Property Profile of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate
Property Insights of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate
The XLogP value of 4.0 indicates that Methyl 2-[3-(trifluoromethyl)anilino]nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Methyl 2-[3-(trifluoromethyl)anilino]nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[3-(trifluoromethyl)anilino]nicotinate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate?
The CAS number of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate is 59361-45-4.
What is the molecular formula of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate?
The molecular formula of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate is C14H11F3N2O2.
What is the molecular weight of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate?
The molecular weight of Methyl 2-[3-(trifluoromethyl)anilino]nicotinate is 296.08 g/mol.
Where can I buy Methyl 2-[3-(trifluoromethyl)anilino]nicotinate?
You can request a quote for Methyl 2-[3-(trifluoromethyl)anilino]nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[3-(trifluoromethyl)anilino]nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(trifluoromethyl)anilino]nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.