1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C9H10F3NO2 — CID 141316241

IUPAC1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C(O)C(F)(F)F)n1C
InChIInChI=1S/C9H10F3NO2/c1-5-3-6(14)4-7(13(5)2)8(15)9(10,11)12/h3-4,8,15H,1-2H3
InChIKeyDULNTHGLFCUTMA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.29
Rot. Bonds1

About 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 141316241) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID141316241
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCc1cc(=O)cc(C(O)C(F)(F)F)n1C
InChIInChI=1S/C9H10F3NO2/c1-5-3-6(14)4-7(13(5)2)8(15)9(10,11)12/h3-4,8,15H,1-2H3
InChIKeyDULNTHGLFCUTMA-UHFFFAOYSA-N
XLogP1.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 141316241) is 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is Cc1cc(=O)cc(C(O)C(F)(F)F)n1C.
What is the InChIKey of 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is DULNTHGLFCUTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-5-3-6(14)4-7(13(5)2)8(15)9(10,11)12/h3-4,8,15H,1-2H3.
What are the key properties of 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 221.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 141316241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).