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

C8H8F3NO2 — CID 90985226

IUPAC3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(F)(F)F)[nH]cc(C)c1=O
InChIInChI=1S/C8H8F3NO2/c1-4-3-12-7(8(9,10)11)6(14-2)5(4)13/h3H,1-2H3,(H,12,13)
InChIKeyTZLJKWUHKOWKOZ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.71
Rot. Bonds1

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

3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 90985226) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID90985226
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(F)(F)F)[nH]cc(C)c1=O
InChIInChI=1S/C8H8F3NO2/c1-4-3-12-7(8(9,10)11)6(14-2)5(4)13/h3H,1-2H3,(H,12,13)
InChIKeyTZLJKWUHKOWKOZ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 91450191
2-(Aminomethyl)-5-(difluoromethyl)-4-hydroxy-3-methoxypyridine
CID 118803054
2-(Difluoromethyl)-4-hydroxy-5-methoxy-3-methylpyridine
CID 118803692
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-5-acetonitrile
CID 118809177
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethoxy)pyridine-5-carboxaldehyde
CID 118809441
2-(Chloromethyl)-3-(difluoromethyl)-4-hydroxy-5-methoxypyridine
CID 118815710
2-(Difluoromethyl)-3,4-dihydroxy-5-methylpyridine
CID 118820345
2-(Difluoromethyl)-4-hydroxy-3-methyl-5-(trifluoromethoxy)pyridine
CID 118820372
2-(Difluoromethyl)-4-hydroxy-3-methoxypyridine-5-methanol
CID 118826217
2-(Chloromethyl)-5-(difluoromethyl)-4-hydroxy-3-methoxypyridine
CID 118826813
2-(chloromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118827105
2-(Difluoromethyl)-4-hydroxy-3-methoxy-5-methylpyridine
CID 118831668

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one (CID 90985226) is 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one is COc1c(C(F)(F)F)[nH]cc(C)c1=O.
What is the InChIKey of 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is TZLJKWUHKOWKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-3-12-7(8(9,10)11)6(14-2)5(4)13/h3H,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one?
3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 207.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 90985226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).