5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one

C15H16FNO3S — CID 123204517

IUPAC5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one
SMILESCOc1cc(F)c(CS(C)=O)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C15H16FNO3S/c1-17-8-10(4-5-15(17)18)12-6-11(9-21(3)19)13(16)7-14(12)20-2/h4-8H,9H2,1-3H3
InChIKeyIQENSFHTXXIRMX-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.08
Rot. Bonds4

About 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one

5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one (PubChem CID 123204517) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one
PubChem CID123204517
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one
SMILESCOc1cc(F)c(CS(C)=O)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C15H16FNO3S/c1-17-8-10(4-5-15(17)18)12-6-11(9-21(3)19)13(16)7-14(12)20-2/h4-8H,9H2,1-3H3
InChIKeyIQENSFHTXXIRMX-UHFFFAOYSA-N
XLogP2.08
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one (CID 123204517) is 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one is COc1cc(F)c(CS(C)=O)cc1-c1ccc(=O)n(C)c1.
What is the InChIKey of 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one?
The InChIKey is IQENSFHTXXIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-17-8-10(4-5-15(17)18)12-6-11(9-21(3)19)13(16)7-14(12)20-2/h4-8H,9H2,1-3H3.
What are the key properties of 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one?
5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one has a molecular weight of 309.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-methoxy-5-(methylsulfinylmethyl)phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 123204517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).