2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one

C10H12F3NO2 — CID 70935169

IUPAC2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)cc(C)n1CC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-3-7-9(16)8(15)4-6(2)14(7)5-10(11,12)13/h4,16H,3,5H2,1-2H3
InChIKeyWXBBIGQMACBFLU-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.99
Rot. Bonds2

About 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one

2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 70935169) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID70935169
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)cc(C)n1CC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-3-7-9(16)8(15)4-6(2)14(7)5-10(11,12)13/h4,16H,3,5H2,1-2H3
InChIKeyWXBBIGQMACBFLU-UHFFFAOYSA-N
XLogP1.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 70935169) is 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one is CCc1c(O)c(=O)cc(C)n1CC(F)(F)F.
What is the InChIKey of 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is WXBBIGQMACBFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-3-7-9(16)8(15)4-6(2)14(7)5-10(11,12)13/h4,16H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one?
2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 235.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-6-methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 70935169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).