ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate

C13H15F3N2O3 — CID 69440863

IUPACethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)c(N2CCOCC2)n1
InChIInChI=1S/C13H15F3N2O3/c1-2-21-12(19)10-4-3-9(13(14,15)16)11(17-10)18-5-7-20-8-6-18/h3-4H,2,5-8H2,1H3
InChIKeyLXUFDUZPXTUZOZ-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.11
Rot. Bonds3

About ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 69440863) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID69440863
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Nameethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)c(N2CCOCC2)n1
InChIInChI=1S/C13H15F3N2O3/c1-2-21-12(19)10-4-3-9(13(14,15)16)11(17-10)18-5-7-20-8-6-18/h3-4H,2,5-8H2,1H3
InChIKeyLXUFDUZPXTUZOZ-UHFFFAOYSA-N
XLogP2.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-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 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate (CID 69440863) is ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)c(N2CCOCC2)n1.
What is the InChIKey of ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is LXUFDUZPXTUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-2-21-12(19)10-4-3-9(13(14,15)16)11(17-10)18-5-7-20-8-6-18/h3-4H,2,5-8H2,1H3.
What are the key properties of ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 304.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-morpholin-4-yl-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 69440863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).