3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

C13H8ClF4NO2 — CID 15457115

IUPAC3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)ccc(-c2cc(O)c(Cl)cc2F)c1=O
InChIInChI=1S/C13H8ClF4NO2/c1-19-11(13(16,17)18)3-2-6(12(19)21)7-4-10(20)8(14)5-9(7)15/h2-5,20H,1H3
InChIKeyYSBSNOQWJYJPFK-UHFFFAOYSA-N
MW321.66 g/mol
LogP3.57
Rot. Bonds1

About 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one

3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 15457115) has the molecular formula C13H8ClF4NO2 and a molecular weight of 321.66 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID15457115
Molecular FormulaC13H8ClF4NO2
Molecular Weight321.66 g/mol
Exact Mass321.02
IUPAC Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one
SMILESCn1c(C(F)(F)F)ccc(-c2cc(O)c(Cl)cc2F)c1=O
InChIInChI=1S/C13H8ClF4NO2/c1-19-11(13(16,17)18)3-2-6(12(19)21)7-4-10(20)8(14)5-9(7)15/h2-5,20H,1H3
InChIKeyYSBSNOQWJYJPFK-UHFFFAOYSA-N
XLogP3.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.66
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one (CID 15457115) is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is Cn1c(C(F)(F)F)ccc(-c2cc(O)c(Cl)cc2F)c1=O.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is YSBSNOQWJYJPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO2/c1-19-11(13(16,17)18)3-2-6(12(19)21)7-4-10(20)8(14)5-9(7)15/h2-5,20H,1H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one?
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 321.66 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 15457115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).