4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one

C13H10F3NO3 — CID 70266993

IUPAC4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)[nH]c(=O)c1
InChIInChI=1S/C13H10F3NO3/c1-19-10-6-11(18)17-12(7-10)20-9-4-2-3-8(5-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOCHZHRWQVJHYCY-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.19
Rot. Bonds3

About 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one

4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one (PubChem CID 70266993) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one
PubChem CID70266993
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one
SMILESCOc1cc(Oc2cccc(C(F)(F)F)c2)[nH]c(=O)c1
InChIInChI=1S/C13H10F3NO3/c1-19-10-6-11(18)17-12(7-10)20-9-4-2-3-8(5-9)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOCHZHRWQVJHYCY-UHFFFAOYSA-N
XLogP3.19
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one?
The IUPAC name of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one (CID 70266993) is 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one is COc1cc(Oc2cccc(C(F)(F)F)c2)[nH]c(=O)c1.
What is the InChIKey of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one?
The InChIKey is OCHZHRWQVJHYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-19-10-6-11(18)17-12(7-10)20-9-4-2-3-8(5-9)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one?
4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one has a molecular weight of 285.22 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-(trifluoromethyl)phenoxy]-1H-pyridin-2-one is sourced from PubChem (CID 70266993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).