ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate

C15H13F3N2O2 — CID 15325360

IUPACethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(-c2ccccn2)nc1C
InChIInChI=1S/C15H13F3N2O2/c1-3-22-14(21)13-9(2)20-12(8-10(13)15(16,17)18)11-6-4-5-7-19-11/h4-8H,3H2,1-2H3
InChIKeyNFXXMAORRGCPER-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.65
Rot. Bonds3

About ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate

ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 15325360) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID15325360
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Nameethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(-c2ccccn2)nc1C
InChIInChI=1S/C15H13F3N2O2/c1-3-22-14(21)13-9(2)20-12(8-10(13)15(16,17)18)11-6-4-5-7-19-11/h4-8H,3H2,1-2H3
InChIKeyNFXXMAORRGCPER-UHFFFAOYSA-N
XLogP3.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate (CID 15325360) is ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)cc(-c2ccccn2)nc1C.
What is the InChIKey of ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is NFXXMAORRGCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-3-22-14(21)13-9(2)20-12(8-10(13)15(16,17)18)11-6-4-5-7-19-11/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 310.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 15325360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).