3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one

C13H17F3N2O3 — CID 126715470

IUPAC3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)n1CC(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-9-6-11(19)12(20)10(18(9)8-13(14,15)16)7-17-2-4-21-5-3-17/h6,20H,2-5,7-8H2,1H3
InChIKeyBSVNEOXYKCQUIY-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.26
Rot. Bonds3

About 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one

3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one (PubChem CID 126715470) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
PubChem CID126715470
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)n1CC(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-9-6-11(19)12(20)10(18(9)8-13(14,15)16)7-17-2-4-21-5-3-17/h6,20H,2-5,7-8H2,1H3
InChIKeyBSVNEOXYKCQUIY-UHFFFAOYSA-N
XLogP1.26
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one (CID 126715470) is 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCOCC2)n1CC(F)(F)F.
What is the InChIKey of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
The InChIKey is BSVNEOXYKCQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-9-6-11(19)12(20)10(18(9)8-13(14,15)16)7-17-2-4-21-5-3-17/h6,20H,2-5,7-8H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one?
3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one has a molecular weight of 306.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one is sourced from PubChem (CID 126715470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).