[2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate

C10H8F3NO4 — CID 174729789

IUPAC[2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCc1cccc(OC(=O)COC(=O)C(F)(F)F)n1
InChIInChI=1S/C10H8F3NO4/c1-6-3-2-4-7(14-6)18-8(15)5-17-9(16)10(11,12)13/h2-4H,5H2,1H3
InChIKeyIEAPGBDLDKBUCC-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.40
Rot. Bonds3

About [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 174729789) has the molecular formula C10H8F3NO4 and a molecular weight of 263.17 g/mol. Its IUPAC name is [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID174729789
Molecular FormulaC10H8F3NO4
Molecular Weight263.17 g/mol
Exact Mass263.04
IUPAC Name[2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCc1cccc(OC(=O)COC(=O)C(F)(F)F)n1
InChIInChI=1S/C10H8F3NO4/c1-6-3-2-4-7(14-6)18-8(15)5-17-9(16)10(11,12)13/h2-4H,5H2,1H3
InChIKeyIEAPGBDLDKBUCC-UHFFFAOYSA-N
XLogP1.40
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 174729789) is [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate is Cc1cccc(OC(=O)COC(=O)C(F)(F)F)n1.
What is the InChIKey of [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is IEAPGBDLDKBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO4/c1-6-3-2-4-7(14-6)18-8(15)5-17-9(16)10(11,12)13/h2-4H,5H2,1H3.
What are the key properties of [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 263.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-2-pyridinyl)oxy]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 174729789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).