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

C14H10ClF4NO2 — CID 15457051

IUPAC3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2cc(O)c(Cl)cc2F)c(=O)n(C)c1C(F)(F)F
InChIInChI=1S/C14H10ClF4NO2/c1-6-3-8(7-4-11(21)9(15)5-10(7)16)13(22)20(2)12(6)14(17,18)19/h3-5,21H,1-2H3
InChIKeyFWBVCEFFPOGZDE-UHFFFAOYSA-N
MW335.68 g/mol
LogP3.88
Rot. Bonds1

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

3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 15457051) has the molecular formula C14H10ClF4NO2 and a molecular weight of 335.68 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one
PubChem CID15457051
Molecular FormulaC14H10ClF4NO2
Molecular Weight335.68 g/mol
Exact Mass335.03
IUPAC Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-c2cc(O)c(Cl)cc2F)c(=O)n(C)c1C(F)(F)F
InChIInChI=1S/C14H10ClF4NO2/c1-6-3-8(7-4-11(21)9(15)5-10(7)16)13(22)20(2)12(6)14(17,18)19/h3-5,21H,1-2H3
InChIKeyFWBVCEFFPOGZDE-UHFFFAOYSA-N
XLogP3.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 53.88
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)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one (CID 15457051) is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one is Cc1cc(-c2cc(O)c(Cl)cc2F)c(=O)n(C)c1C(F)(F)F.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is FWBVCEFFPOGZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO2/c1-6-3-8(7-4-11(21)9(15)5-10(7)16)13(22)20(2)12(6)14(17,18)19/h3-5,21H,1-2H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one?
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 335.68 g/mol, XLogP of 3.88, 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)-1,5-dimethyl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 15457051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).