6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C17H12F3NOS — CID 4256016

IUPAC6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1cccc(-c2ccsc2)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NOS/c18-17(19,20)14-4-1-3-12(9-14)10-21-15(5-2-6-16(21)22)13-7-8-23-11-13/h1-9,11H,10H2
InChIKeyHOSXAIWHJYYHQD-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.64
Rot. Bonds3

About 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 4256016) has the molecular formula C17H12F3NOS and a molecular weight of 335.35 g/mol. Its IUPAC name is 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID4256016
Molecular FormulaC17H12F3NOS
Molecular Weight335.35 g/mol
Exact Mass335.06
IUPAC Name6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1cccc(-c2ccsc2)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NOS/c18-17(19,20)14-4-1-3-12(9-14)10-21-15(5-2-6-16(21)22)13-7-8-23-11-13/h1-9,11H,10H2
InChIKeyHOSXAIWHJYYHQD-UHFFFAOYSA-N
XLogP4.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 4256016) is 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1cccc(-c2ccsc2)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is HOSXAIWHJYYHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NOS/c18-17(19,20)14-4-1-3-12(9-14)10-21-15(5-2-6-16(21)22)13-7-8-23-11-13/h1-9,11H,10H2.
What are the key properties of 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 335.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 4256016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).