1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C13H10F3NO2S — CID 60659653

IUPAC1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C13H10F3NO2S/c1-8-2-4-11(20-8)10(18)7-17-6-9(13(14,15)16)3-5-12(17)19/h2-6H,7H2,1H3
InChIKeyOVANOXAOXARBNF-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 60659653) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID60659653
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)s1
InChIInChI=1S/C13H10F3NO2S/c1-8-2-4-11(20-8)10(18)7-17-6-9(13(14,15)16)3-5-12(17)19/h2-6H,7H2,1H3
InChIKeyOVANOXAOXARBNF-UHFFFAOYSA-N
XLogP3.12
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 60659653) is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is Cc1ccc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OVANOXAOXARBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-8-2-4-11(20-8)10(18)7-17-6-9(13(14,15)16)3-5-12(17)19/h2-6H,7H2,1H3.
What are the key properties of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 301.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 60659653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).