4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine

C18H11F6NOS — CID 18924602

IUPAC4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)c1
InChIInChI=1S/C18H11F6NOS/c1-10-7-13(14-5-6-15(27-14)18(22,23)24)25-16(8-10)26-12-4-2-3-11(9-12)17(19,20)21/h2-9H,1H3
InChIKeyHUZZBVCIIQLAHG-UHFFFAOYSA-N
MW403.35 g/mol
LogP6.95
Rot. Bonds3

About 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine

4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine (PubChem CID 18924602) has the molecular formula C18H11F6NOS and a molecular weight of 403.35 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine
PubChem CID18924602
Molecular FormulaC18H11F6NOS
Molecular Weight403.35 g/mol
Exact Mass403.05
IUPAC Name4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine
SMILESCc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)c1
InChIInChI=1S/C18H11F6NOS/c1-10-7-13(14-5-6-15(27-14)18(22,23)24)25-16(8-10)26-12-4-2-3-11(9-12)17(19,20)21/h2-9H,1H3
InChIKeyHUZZBVCIIQLAHG-UHFFFAOYSA-N
XLogP6.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)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 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine (CID 18924602) is 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine is Cc1cc(Oc2cccc(C(F)(F)F)c2)nc(-c2ccc(C(F)(F)F)s2)c1.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The InChIKey is HUZZBVCIIQLAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F6NOS/c1-10-7-13(14-5-6-15(27-14)18(22,23)24)25-16(8-10)26-12-4-2-3-11(9-12)17(19,20)21/h2-9H,1H3.
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine has a molecular weight of 403.35 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)phenoxy]-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 18924602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).