1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one

C13H10F3NO2S — CID 81320327

IUPAC1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(C(=O)Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C13H10F3NO2S/c1-8-5-6-10(20-8)9(18)7-17-11(13(14,15)16)3-2-4-12(17)19/h2-6H,7H2,1H3
InChIKeyRKFIAJMOJVTLQC-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320327) 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]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320327
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCc1ccc(C(=O)Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C13H10F3NO2S/c1-8-5-6-10(20-8)9(18)7-17-11(13(14,15)16)3-2-4-12(17)19/h2-6H,7H2,1H3
InChIKeyRKFIAJMOJVTLQC-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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Related Compounds

1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319664
1-[2-(chloromethyl)prop-2-enyl]-6-(trifluoromethyl)pyridin-2-one
CID 103065846
3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81319391
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one
CID 80581416
1-(6-chlorohexyl)-6-(trifluoromethyl)pyridin-2-one
CID 81318678
1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319773
1-(5-methylthiophen-2-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153150
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679628
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 114651413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320327) is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one is Cc1ccc(C(=O)Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is RKFIAJMOJVTLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-8-5-6-10(20-8)9(18)7-17-11(13(14,15)16)3-2-4-12(17)19/h2-6H,7H2,1H3.
What are the key properties of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(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]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).