5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one

C14H11ClF3NO2S — CID 167579495

IUPAC5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
SMILESCc1cc(CC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C14H11ClF3NO2S/c1-7-2-8(5-19(14(7)21)6-12(17)18)3-10(20)11-4-9(16)13(15)22-11/h2,4-5,12H,3,6H2,1H3
InChIKeyGZHWWYQFRGSFHE-UHFFFAOYSA-N
MW349.76 g/mol
LogP3.70
Rot. Bonds5

About 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one

5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one (PubChem CID 167579495) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
PubChem CID167579495
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC Name5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
SMILESCc1cc(CC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C14H11ClF3NO2S/c1-7-2-8(5-19(14(7)21)6-12(17)18)3-10(20)11-4-9(16)13(15)22-11/h2,4-5,12H,3,6H2,1H3
InChIKeyGZHWWYQFRGSFHE-UHFFFAOYSA-N
XLogP3.70
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one with MolForge

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Related Compounds

5-[2-[5-chloro-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)ethynyl]thiophen-2-yl]-2-oxoethyl]-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 167570659
N-[4-[2-[2-chloro-5-[2-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]acetyl]thiophen-3-yl]ethynyl]-2-pyridinyl]acetamide
CID 167634129
5-[2-[5-chloro-4-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethynyl]thiophen-2-yl]-2-oxoethyl]-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 167677314
5-[2-[5-chloro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethynyl]thiophen-2-yl]-2-oxoethyl]-1-(2,2-difluoroethyl)-3-fluoropyridin-2-one
CID 167630190
5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
CID 167637338
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiophene-2-carboxamide
CID 146323308
methyl 5-chloro-4-fluorothiophene-2-carboxylate
CID 121232058
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(1-methyl-2-oxopiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323189
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethynyl]thiophene-2-carboxamide
CID 146323436
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The IUPAC name of 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one (CID 167579495) is 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The canonical SMILES for 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one is Cc1cc(CC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O.
What is the InChIKey of 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The InChIKey is GZHWWYQFRGSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c1-7-2-8(5-19(14(7)21)6-12(17)18)3-10(20)11-4-9(16)13(15)22-11/h2,4-5,12H,3,6H2,1H3.
What are the key properties of 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one has a molecular weight of 349.76 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-4-fluorothiophen-2-yl)-2-oxoethyl]-1-(2,2-difluoroethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 167579495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).