1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

C8H9F3N2O2 — CID 134466823

IUPAC1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1ccc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-12-5-3-4-6(8(9,10)11)13(15-2)7(5)14/h3-4,12H,1-2H3
InChIKeyHGKCLVTXTAYBSZ-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.97
Rot. Bonds2

About 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one

1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 134466823) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
PubChem CID134466823
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
SMILESCNc1ccc(C(F)(F)F)n(OC)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-12-5-3-4-6(8(9,10)11)13(15-2)7(5)14/h3-4,12H,1-2H3
InChIKeyHGKCLVTXTAYBSZ-UHFFFAOYSA-N
XLogP0.97
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-1-methoxy-3-(methylamino)-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 134466829
1-(1,1,1-trifluoropropan-2-yloxy)-2H-pyridine-6-carboxamide
CID 67976590
1-Ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865132
1-Methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865145
1-Methyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one
CID 118865146
1-Ethyl-3-(methylamino)-4-nitro-6-(trifluoromethyl)pyridin-2-one
CID 118865187
N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 132019946
4-Azido-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 134466815
4-Amino-1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 134466852
N-[4-amino-1-methoxy-2-oxo-6-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoro-N-methylacetamide
CID 146262389
3-(methylamino)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154403426
1-Ethyl-3-(methylamino)-4-nitroso-6-(trifluoromethyl)pyridin-2-one
CID 155172213

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one (CID 134466823) is 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is CNc1ccc(C(F)(F)F)n(OC)c1=O.
What is the InChIKey of 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is HGKCLVTXTAYBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-12-5-3-4-6(8(9,10)11)13(15-2)7(5)14/h3-4,12H,1-2H3.
What are the key properties of 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one?
1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 222.17 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134466823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).