ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate

C11H12F3NO4 — CID 134680788

IUPACethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(OC(F)(F)F)c1C
InChIInChI=1S/C11H12F3NO4/c1-3-18-9(17)5-7-4-8(16)15-10(6(7)2)19-11(12,13)14/h4H,3,5H2,1-2H3,(H,15,16)
InChIKeyJDJFYJVOOABFNF-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.69
Rot. Bonds4

About ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate

ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate (PubChem CID 134680788) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
PubChem CID134680788
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Nameethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(OC(F)(F)F)c1C
InChIInChI=1S/C11H12F3NO4/c1-3-18-9(17)5-7-4-8(16)15-10(6(7)2)19-11(12,13)14/h4H,3,5H2,1-2H3,(H,15,16)
InChIKeyJDJFYJVOOABFNF-UHFFFAOYSA-N
XLogP1.69
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111919
ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134680673
ethyl 2-[5-nitro-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665425
ethyl 2-[5-(chloromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664506
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-[3-nitro-2-oxo-6-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134660296
ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662070
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
CID 133103526
4-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134666701
ethyl 2-[2-(aminomethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134678407
methyl 4-(chloromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134666654
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate?
The IUPAC name of ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate (CID 134680788) is ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate?
The canonical SMILES for ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate is CCOC(=O)Cc1cc(=O)[nH]c(OC(F)(F)F)c1C.
What is the InChIKey of ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate?
The InChIKey is JDJFYJVOOABFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-3-18-9(17)5-7-4-8(16)15-10(6(7)2)19-11(12,13)14/h4H,3,5H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate?
ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate has a molecular weight of 279.21 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate is sourced from PubChem (CID 134680788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).