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

C8H8F3NO2 — CID 24944548

IUPAC3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCn1ccc(=O)c(O)c1CC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-12-3-2-6(13)7(14)5(12)4-8(9,10)11/h2-3,14H,4H2,1H3
InChIKeyIMMYEIUSOGZBAP-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.20
Rot. Bonds1

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

3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 24944548) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID24944548
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCn1ccc(=O)c(O)c1CC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c1-12-3-2-6(13)7(14)5(12)4-8(9,10)11/h2-3,14H,4H2,1H3
InChIKeyIMMYEIUSOGZBAP-UHFFFAOYSA-N
XLogP1.20
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one (CID 24944548) is 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one is Cn1ccc(=O)c(O)c1CC(F)(F)F.
What is the InChIKey of 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is IMMYEIUSOGZBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-12-3-2-6(13)7(14)5(12)4-8(9,10)11/h2-3,14H,4H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one?
3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 207.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 24944548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).