1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one

C15H14F3NO2 — CID 122401259

IUPAC1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one
SMILESCOc1cc(C)n(Cc2ccccc2)c(=O)c1C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c1-10-8-12(21-2)13(15(16,17)18)14(20)19(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyAPGLQXUSVUNBOH-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.23
Rot. Bonds3

About 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one

1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one (PubChem CID 122401259) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one
PubChem CID122401259
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one
SMILESCOc1cc(C)n(Cc2ccccc2)c(=O)c1C(F)(F)F
InChIInChI=1S/C15H14F3NO2/c1-10-8-12(21-2)13(15(16,17)18)14(20)19(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyAPGLQXUSVUNBOH-UHFFFAOYSA-N
XLogP3.23
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one (CID 122401259) is 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one is COc1cc(C)n(Cc2ccccc2)c(=O)c1C(F)(F)F.
What is the InChIKey of 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is APGLQXUSVUNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10-8-12(21-2)13(15(16,17)18)14(20)19(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one?
1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 297.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 122401259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).