5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one

C14H14FNO2S — CID 134311379

IUPAC5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(S(C)=O)ccc2F)cn(C)c1=O
InChIInChI=1S/C14H14FNO2S/c1-9-6-10(8-16(2)14(9)17)12-7-11(19(3)18)4-5-13(12)15/h4-8H,1-3H3
InChIKeyQFTFZMCHQIGZNK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.24
Rot. Bonds2

About 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one

5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one (PubChem CID 134311379) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one
PubChem CID134311379
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(S(C)=O)ccc2F)cn(C)c1=O
InChIInChI=1S/C14H14FNO2S/c1-9-6-10(8-16(2)14(9)17)12-7-11(19(3)18)4-5-13(12)15/h4-8H,1-3H3
InChIKeyQFTFZMCHQIGZNK-UHFFFAOYSA-N
XLogP2.24
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one (CID 134311379) is 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(S(C)=O)ccc2F)cn(C)c1=O.
What is the InChIKey of 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one?
The InChIKey is QFTFZMCHQIGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9-6-10(8-16(2)14(9)17)12-7-11(19(3)18)4-5-13(12)15/h4-8H,1-3H3.
What are the key properties of 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one?
5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-5-methylsulfinylphenyl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134311379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).