1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one

C8H8F3NO2 — CID 60743585

IUPAC1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCO
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-1-2-7(14)12(5-6)3-4-13/h1-2,5,13H,3-4H2
InChIKeyZTVDDCXBPOLJIK-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.86
Rot. Bonds2

About 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 60743585) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID60743585
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCO
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-1-2-7(14)12(5-6)3-4-13/h1-2,5,13H,3-4H2
InChIKeyZTVDDCXBPOLJIK-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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Related Compounds

2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
1-(2,2,2-Trichloro-1-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 4346826
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
5-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89642068
5-Ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642070
5-ethyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642071
5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642075
5-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642120
5-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642133
5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 90227877
1-(2,2-Difluoroethyl)-5-methylpyridin-2-one
CID 90440078

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one (CID 60743585) is 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZTVDDCXBPOLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)6-1-2-7(14)12(5-6)3-4-13/h1-2,5,13H,3-4H2.
What are the key properties of 1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxyethyl)-5-(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)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 60743585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).