6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C11H15F3N2O3 — CID 70895939

IUPAC6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCN(C)Cc1cc(=O)c(O)c(C(O)C(F)(F)F)n1C
InChIInChI=1S/C11H15F3N2O3/c1-15(2)5-6-4-7(17)9(18)8(16(6)3)10(19)11(12,13)14/h4,10,18-19H,5H2,1-3H3
InChIKeyYGKNSGFALNXUMO-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.75
Rot. Bonds3

About 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 70895939) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID70895939
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESCN(C)Cc1cc(=O)c(O)c(C(O)C(F)(F)F)n1C
InChIInChI=1S/C11H15F3N2O3/c1-15(2)5-6-4-7(17)9(18)8(16(6)3)10(19)11(12,13)14/h4,10,18-19H,5H2,1-3H3
InChIKeyYGKNSGFALNXUMO-UHFFFAOYSA-N
XLogP0.75
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 70895939) is 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is CN(C)Cc1cc(=O)c(O)c(C(O)C(F)(F)F)n1C.
What is the InChIKey of 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is YGKNSGFALNXUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-15(2)5-6-4-7(17)9(18)8(16(6)3)10(19)11(12,13)14/h4,10,18-19H,5H2,1-3H3.
What are the key properties of 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 280.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 70895939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).