3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

C8H8F3NO3 — CID 130111692

IUPAC3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3NO3/c1-4-7(14-2)6(13)5(3-12-4)15-8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyOMXGQFWAHPKGPH-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.59
Rot. Bonds2

About 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one

3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130111692) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130111692
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Name3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCOc1c(C)[nH]cc(OC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3NO3/c1-4-7(14-2)6(13)5(3-12-4)15-8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyOMXGQFWAHPKGPH-UHFFFAOYSA-N
XLogP1.59
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one (CID 130111692) is 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is COc1c(C)[nH]cc(OC(F)(F)F)c1=O.
What is the InChIKey of 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is OMXGQFWAHPKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-4-7(14-2)6(13)5(3-12-4)15-8(9,10)11/h3H,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one?
3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 223.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130111692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).