3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

C16H14F3NO3 — CID 13201821

IUPAC3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCOCC(=O)c1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H14F3NO3/c1-20-7-12(15(22)13(8-20)14(21)9-23-2)10-4-3-5-11(6-10)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyWEIRLVFSBFFTLD-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one

3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 13201821) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID13201821
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESCOCC(=O)c1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H14F3NO3/c1-20-7-12(15(22)13(8-20)14(21)9-23-2)10-4-3-5-11(6-10)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyWEIRLVFSBFFTLD-UHFFFAOYSA-N
XLogP2.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one (CID 13201821) is 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is COCC(=O)c1cn(C)cc(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is WEIRLVFSBFFTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-20-7-12(15(22)13(8-20)14(21)9-23-2)10-4-3-5-11(6-10)16(17,18)19/h3-8H,9H2,1-2H3.
What are the key properties of 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one?
3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 325.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyacetyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 13201821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).