3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

C8H8F3NO2 — CID 67281496

IUPAC3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(CC(F)(F)F)c(=O)c1O
InChIInChI=1S/C8H8F3NO2/c1-4-6(13)7(14)5(3-12-4)2-8(9,10)11/h3,13H,2H2,1H3,(H,12,14)
InChIKeyAYNJRFQOSZDNKT-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.49
Rot. Bonds1

About 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (PubChem CID 67281496) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
PubChem CID67281496
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESCc1[nH]cc(CC(F)(F)F)c(=O)c1O
InChIInChI=1S/C8H8F3NO2/c1-4-6(13)7(14)5(3-12-4)2-8(9,10)11/h3,13H,2H2,1H3,(H,12,14)
InChIKeyAYNJRFQOSZDNKT-UHFFFAOYSA-N
XLogP1.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (CID 67281496) is 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is Cc1[nH]cc(CC(F)(F)F)c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The InChIKey is AYNJRFQOSZDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-6(13)7(14)5(3-12-4)2-8(9,10)11/h3,13H,2H2,1H3,(H,12,14).
What are the key properties of 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one has a molecular weight of 207.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-5-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 67281496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).