1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one

C14H12F3NO3S — CID 132524022

IUPAC1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one
SMILESCOc1ccc(-n2cc(SC(F)(F)F)ccc2=O)cc1OC
InChIInChI=1S/C14H12F3NO3S/c1-20-11-5-3-9(7-12(11)21-2)18-8-10(4-6-13(18)19)22-14(15,16)17/h3-8H,1-2H3
InChIKeyUEZBUDUYKQIYPX-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.47
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one

1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one (PubChem CID 132524022) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one
PubChem CID132524022
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC Name1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one
SMILESCOc1ccc(-n2cc(SC(F)(F)F)ccc2=O)cc1OC
InChIInChI=1S/C14H12F3NO3S/c1-20-11-5-3-9(7-12(11)21-2)18-8-10(4-6-13(18)19)22-14(15,16)17/h3-8H,1-2H3
InChIKeyUEZBUDUYKQIYPX-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one (CID 132524022) is 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one is COc1ccc(-n2cc(SC(F)(F)F)ccc2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one?
The InChIKey is UEZBUDUYKQIYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-20-11-5-3-9(7-12(11)21-2)18-8-10(4-6-13(18)19)22-14(15,16)17/h3-8H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one?
1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one has a molecular weight of 331.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-(trifluoromethylsulfanyl)pyridin-2-one is sourced from PubChem (CID 132524022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).