ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C10H10F3NO3 — CID 60643142

IUPACethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H10F3NO3/c1-2-17-9(16)6-14-5-7(10(11,12)13)3-4-8(14)15/h3-5H,2,6H2,1H3
InChIKeyXJLZOGYKWCURHS-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.43
Rot. Bonds3

About ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 60643142) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID60643142
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H10F3NO3/c1-2-17-9(16)6-14-5-7(10(11,12)13)3-4-8(14)15/h3-5H,2,6H2,1H3
InChIKeyXJLZOGYKWCURHS-UHFFFAOYSA-N
XLogP1.43
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 60643142) is ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is CCOC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is XJLZOGYKWCURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-2-17-9(16)6-14-5-7(10(11,12)13)3-4-8(14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 249.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 60643142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).