1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one

C8H8F3NO2 — CID 81319535

IUPAC1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCO
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-2-1-3-7(14)12(6)4-5-13/h1-3,13H,4-5H2
InChIKeyBABXHKRAOJSUED-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.86
Rot. Bonds2

About 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one

1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81319535) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID81319535
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1CCO
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-2-1-3-7(14)12(6)4-5-13/h1-3,13H,4-5H2
InChIKeyBABXHKRAOJSUED-UHFFFAOYSA-N
XLogP0.86
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one (CID 81319535) is 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is BABXHKRAOJSUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)6-2-1-3-7(14)12(6)4-5-13/h1-3,13H,4-5H2.
What are the key properties of 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 207.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81319535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).