4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine

C18H14F3NOS — CID 15754452

IUPAC4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCCOc1cc(-c2ccsc2)nc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H14F3NOS/c1-2-23-15-9-16(22-17(10-15)13-6-7-24-11-13)12-4-3-5-14(8-12)18(19,20)21/h3-11H,2H2,1H3
InChIKeyAEBBNBGNZGORLU-UHFFFAOYSA-N
MW349.38 g/mol
LogP5.89
Rot. Bonds4

About 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine

4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 15754452) has the molecular formula C18H14F3NOS and a molecular weight of 349.38 g/mol. Its IUPAC name is 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID15754452
Molecular FormulaC18H14F3NOS
Molecular Weight349.38 g/mol
Exact Mass349.07
IUPAC Name4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine
SMILESCCOc1cc(-c2ccsc2)nc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H14F3NOS/c1-2-23-15-9-16(22-17(10-15)13-6-7-24-11-13)12-4-3-5-14(8-12)18(19,20)21/h3-11H,2H2,1H3
InChIKeyAEBBNBGNZGORLU-UHFFFAOYSA-N
XLogP5.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine 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 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine (CID 15754452) is 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine is CCOc1cc(-c2ccsc2)nc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is AEBBNBGNZGORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NOS/c1-2-23-15-9-16(22-17(10-15)13-6-7-24-11-13)12-4-3-5-14(8-12)18(19,20)21/h3-11H,2H2,1H3.
What are the key properties of 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine?
4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 349.38 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-thiophen-3-yl-6-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 15754452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).