2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

C11H14F3NO2 — CID 11368671

IUPAC2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(C)(C)C)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C11H14F3NO2/c1-10(2,3)9-8(17-4)6(16)5-7(15-9)11(12,13)14/h5H,1-4H3,(H,15,16)
InChIKeySEZALVMBFBLABT-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.70
Rot. Bonds1

About 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one

2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 11368671) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID11368671
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c(C(C)(C)C)[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C11H14F3NO2/c1-10(2,3)9-8(17-4)6(16)5-7(15-9)11(12,13)14/h5H,1-4H3,(H,15,16)
InChIKeySEZALVMBFBLABT-UHFFFAOYSA-N
XLogP2.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-1-tert-Butyl-2-methoxy-3-oxo-1-butenyl]-2,2,2-trifluoroacetamide
CID 11265622
3-Methoxy-2,6-dimethylpyridin-4(1H)-one
CID 22574695
2-tert-butyl-6-ethynyl-3-methoxy-1H-pyridin-4-one
CID 71480745
2-Isopropyl-3-methoxy-6-(trifluoromethyl)pyridine-4-ol
CID 11572207
2-Ethyl-3-methoxy-6-(trifluoromethyl)pyridin-4-ol
CID 11658612
2-[(2S)-butan-2-yl]-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 44134316
2-(2-hydroxypropan-2-yl)-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 46178136
2-tert-butyl-3-methoxy-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-pyridin-4-one
CID 46178209
2-tert-butyl-6-(trifluoromethyl)-3-(2-trimethylsilylethoxy)-1H-pyridin-4-one
CID 101453258
3-methoxy-2-methyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 101453260
3-methoxy-2-pent-4-enyl-6-(trifluoromethyl)-1H-pyridin-4-one
CID 101453261
2-fluoro-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 102030327

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one (CID 11368671) is 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is COc1c(C(C)(C)C)[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is SEZALVMBFBLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-10(2,3)9-8(17-4)6(16)5-7(15-9)11(12,13)14/h5H,1-4H3,(H,15,16).
What are the key properties of 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one?
2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 249.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 11368671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).