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

C7H6F3NO2 — CID 102030325

IUPAC5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-3-11-6(2-4(5)12)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyTVIADFHELNJLHW-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.40
Rot. Bonds1

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

5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 102030325) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID102030325
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(F)(F)F)cc1=O
InChIInChI=1S/C7H6F3NO2/c1-13-5-3-11-6(2-4(5)12)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKeyTVIADFHELNJLHW-UHFFFAOYSA-N
XLogP1.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
5-Methoxy-2-methyl-1,4-dihydropyridin-4-one
CID 6324715
3-Ethoxy-4-hydroxy-2-trifluoromethylcarbonylpyridine
CID 129801817
4-Hydroxy-3-methoxy-2-(trifluoromethyl)pyridine
CID 69022654
3-Methoxy-1-methyl-2-(trifluoromethyl)pyridin-4-one
CID 69084126
6-(Trifluoromethyl)pyridine-3,4-diol
CID 72212545
5-fluoro-3-methoxy-2-methyl-1H-pyridin-4-one
CID 143248071
2-fluoro-3-methoxy-6-(trifluoromethyl)-1H-pyridin-4-one
CID 102030327
2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803172
2-(Difluoromethyl)-4,5-dihydroxy-3-methoxypyridine
CID 118803657
2-(Difluoromethyl)-6-fluoro-4-hydroxy-3-methoxypyridine
CID 118803743
2-(Difluoromethyl)-3,4-dihydroxy-5-methoxypyridine
CID 118814932

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one (CID 102030325) is 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one is COc1c[nH]c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is TVIADFHELNJLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c1-13-5-3-11-6(2-4(5)12)7(8,9)10/h2-3H,1H3,(H,11,12).
What are the key properties of 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one?
5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 193.12 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 102030325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).