3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine

C17H12F3NOS — CID 11551745

IUPAC3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)sc1-c1cccnc1
InChIInChI=1S/C17H12F3NOS/c1-22-14-9-15(23-16(14)12-5-3-7-21-10-12)11-4-2-6-13(8-11)17(18,19)20/h2-10H,1H3
InChIKeyKCZHEUTYKIRBJU-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.50
Rot. Bonds3

About 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine

3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine (PubChem CID 11551745) has the molecular formula C17H12F3NOS and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine
PubChem CID11551745
Molecular FormulaC17H12F3NOS
Molecular Weight335.35 g/mol
Exact Mass335.06
IUPAC Name3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine
SMILESCOc1cc(-c2cccc(C(F)(F)F)c2)sc1-c1cccnc1
InChIInChI=1S/C17H12F3NOS/c1-22-14-9-15(23-16(14)12-5-3-7-21-10-12)11-4-2-6-13(8-11)17(18,19)20/h2-10H,1H3
InChIKeyKCZHEUTYKIRBJU-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]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 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
The IUPAC name of 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine (CID 11551745) is 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
The canonical SMILES for 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine is COc1cc(-c2cccc(C(F)(F)F)c2)sc1-c1cccnc1.
What is the InChIKey of 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
The InChIKey is KCZHEUTYKIRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NOS/c1-22-14-9-15(23-16(14)12-5-3-7-21-10-12)11-4-2-6-13(8-11)17(18,19)20/h2-10H,1H3.
What are the key properties of 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine?
3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine has a molecular weight of 335.35 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 11551745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).