1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate

C10H10F3NO3 — CID 174564970

IUPAC1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)n1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C10H10F3NO3/c1-6(17-7(2)15)14-5-3-4-8(9(14)16)10(11,12)13/h3-6H,1-2H3
InChIKeyJLDOQRNCOGVSMT-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.95
Rot. Bonds2

About 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate

1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate (PubChem CID 174564970) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate.

Molecular Properties

Compound Name1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate
PubChem CID174564970
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate
SMILESCC(=O)OC(C)n1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C10H10F3NO3/c1-6(17-7(2)15)14-5-3-4-8(9(14)16)10(11,12)13/h3-6H,1-2H3
InChIKeyJLDOQRNCOGVSMT-UHFFFAOYSA-N
XLogP1.95
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate?
The IUPAC name of 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate (CID 174564970) is 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate.
What is the SMILES notation for 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate?
The canonical SMILES for 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate is CC(=O)OC(C)n1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate?
The InChIKey is JLDOQRNCOGVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6(17-7(2)15)14-5-3-4-8(9(14)16)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate?
1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate has a molecular weight of 249.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]ethyl acetate is sourced from PubChem (CID 174564970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).