2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate
TL;DR: 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate (CAS 400081-97-2) is a chemical compound with molecular formula C11H9F3N4O2 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxylate
Also Known As: 4G-313S, 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate, 2,2,2-trifluoroethyl 6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxylate, 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
| Molecular Formula | C11H9F3N4O2 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 1.68982 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.06775 |
| Heavy Atoms | 20 |
| Complexity | 606.876 |
Chemical Identifiers
| CAS Number | 400081-97-2 |
|---|---|
| SMILES | CC1=NN(C=N1)C2=NC=C(C=C2)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate (CAS 400081-97-2), with molecular formula C11H9F3N4O2 and molecular weight 286.07 g/mol. IUPAC: 2,2,2-trifluoroethyl 6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate
Property Insights of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate
The XLogP value of 1.68982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate. Following Lipinski's Rule of Five, 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate has 0 hydrogen bond donor(s) and 5 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 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
The CAS number of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate is 400081-97-2.
What is the molecular formula of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
The molecular formula of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate is C11H9F3N4O2.
What is the molecular weight of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
The molecular weight of 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate is 286.07 g/mol.
Where can I buy 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
You can request a quote for 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoroethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.