[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate

C10H10F3NO2 — CID 66916945

IUPAC[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate
SMILESCCc1ccnc(OC(C)=O)c1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-7-4-5-14-9(16-6(2)15)8(7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyZHNQTOIQDGHEKU-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.59
Rot. Bonds2

About [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate

[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate (PubChem CID 66916945) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate.

Molecular Properties

Compound Name[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate
PubChem CID66916945
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate
SMILESCCc1ccnc(OC(C)=O)c1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-7-4-5-14-9(16-6(2)15)8(7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyZHNQTOIQDGHEKU-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate?
The IUPAC name of [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate (CID 66916945) is [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate.
What is the SMILES notation for [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate?
The canonical SMILES for [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate is CCc1ccnc(OC(C)=O)c1C(F)(F)F.
What is the InChIKey of [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate?
The InChIKey is ZHNQTOIQDGHEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-3-7-4-5-14-9(16-6(2)15)8(7)10(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate?
[4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate has a molecular weight of 233.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(trifluoromethyl)-2-pyridinyl] acetate is sourced from PubChem (CID 66916945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).