1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

C9H11F3N2O — CID 118865132

IUPAC1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)ccc(NC)c1=O
InChIInChI=1S/C9H11F3N2O/c1-3-14-7(9(10,11)12)5-4-6(13-2)8(14)15/h4-5,13H,3H2,1-2H3
InChIKeyWSUXGNNDODEQKE-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.93
Rot. Bonds2

About 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 118865132) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID118865132
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCCn1c(C(F)(F)F)ccc(NC)c1=O
InChIInChI=1S/C9H11F3N2O/c1-3-14-7(9(10,11)12)5-4-6(13-2)8(14)15/h4-5,13H,3H2,1-2H3
InChIKeyWSUXGNNDODEQKE-UHFFFAOYSA-N
XLogP1.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 118865132) is 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CCn1c(C(F)(F)F)ccc(NC)c1=O.
What is the InChIKey of 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is WSUXGNNDODEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-3-14-7(9(10,11)12)5-4-6(13-2)8(14)15/h4-5,13H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 220.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 118865132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).