3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one

C8H8F3NO2 — CID 130837738

IUPAC3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c[nH]c(OC(F)(F)F)c(C)c1=O
InChIInChI=1S/C8H8F3NO2/c1-4-3-12-7(5(2)6(4)13)14-8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyLJMCSQXAUIHPAC-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.89
Rot. Bonds1

About 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one

3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 130837738) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID130837738
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one
SMILESCc1c[nH]c(OC(F)(F)F)c(C)c1=O
InChIInChI=1S/C8H8F3NO2/c1-4-3-12-7(5(2)6(4)13)14-8(9,10)11/h3H,1-2H3,(H,12,13)
InChIKeyLJMCSQXAUIHPAC-UHFFFAOYSA-N
XLogP1.89
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one (CID 130837738) is 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one is Cc1c[nH]c(OC(F)(F)F)c(C)c1=O.
What is the InChIKey of 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is LJMCSQXAUIHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-3-12-7(5(2)6(4)13)14-8(9,10)11/h3H,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one?
3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 207.15 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 130837738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).