ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate

C11H11F4NO4 — CID 134662070

IUPACethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(CF)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H11F4NO4/c1-2-19-8(17)4-7-3-6(5-12)9(10(18)16-7)20-11(13,14)15/h3H,2,4-5H2,1H3,(H,16,18)
InChIKeyUHBABWKWAYOWMH-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.85
Rot. Bonds5

About ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate

ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (PubChem CID 134662070) has the molecular formula C11H11F4NO4 and a molecular weight of 297.20 g/mol. Its IUPAC name is ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
PubChem CID134662070
Molecular FormulaC11H11F4NO4
Molecular Weight297.20 g/mol
Exact Mass297.06
IUPAC Nameethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cc(CF)c(OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H11F4NO4/c1-2-19-8(17)4-7-3-6(5-12)9(10(18)16-7)20-11(13,14)15/h3H,2,4-5H2,1H3,(H,16,18)
InChIKeyUHBABWKWAYOWMH-UHFFFAOYSA-N
XLogP1.85
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
ethyl 2-[5-(chloromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664506
ethyl 2-[5-nitro-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134665425
ethyl 2-[5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681321
ethyl 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-2-yl]acetate
CID 133103249
ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134680788
ethyl 2-[6-fluoro-5-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658523
ethyl 2-[3-nitro-2-oxo-6-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134660296
ethyl 2-[3-cyano-5-hydroxy-2-(trifluoromethoxy)phenyl]acetate
CID 134654219
methyl 2-[5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660865
ethyl 2-[6-(fluoromethyl)-4-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662012

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate (CID 134662070) is ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is CCOC(=O)Cc1cc(CF)c(OC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
The InChIKey is UHBABWKWAYOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO4/c1-2-19-8(17)4-7-3-6(5-12)9(10(18)16-7)20-11(13,14)15/h3H,2,4-5H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate?
ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate has a molecular weight of 297.20 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 134662070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).