5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C8H8F3NO2 — CID 176690579

IUPAC5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCO)c[nH]1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-3-7(14)12-4-5(6)1-2-13/h3-4,13H,1-2H2,(H,12,14)
InChIKeyCOILPHVBURWJJM-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.93
Rot. Bonds2

About 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 176690579) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID176690579
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCO)c[nH]1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-3-7(14)12-4-5(6)1-2-13/h3-4,13H,1-2H2,(H,12,14)
InChIKeyCOILPHVBURWJJM-UHFFFAOYSA-N
XLogP0.93
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171825637
3-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299059
3-(difluoromethyl)-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299398
5-Fluoro-4-(3-hydroxypropyl)-1-methylpyridin-2-one
CID 172299439
1-(Difluoromethyl)-4-(3-hydroxypropyl)pyridin-2-one
CID 172299585
5-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299820
5-(2-Hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 176690574
1-Ethyl-5-(2-hydroxyethyl)-4-(trifluoromethyl)pyridin-2-one
CID 176690590
4-Fluoro-5-(hydroxymethyl)-1,2-dihydropyridin-2-one
CID 58047412
2-Hydroxy-5-(trifluoromethyl)pyridine-4-acetic acid
CID 118704389
2-Hydroxy-5-(trifluoromethyl)pyridine-4-methanol
CID 118704402
4-(Difluoromethyl)-5-(hydroxymethyl)pyridin-2-ol
CID 118806283

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 176690579) is 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(CCO)c[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is COILPHVBURWJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)6-3-7(14)12-4-5(6)1-2-13/h3-4,13H,1-2H2,(H,12,14).
What are the key properties of 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 207.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176690579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).