2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid

C7H5F3N2O3 — CID 94077245

IUPAC2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
SMILESO=C(O)COc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)4-1-5(12-3-11-4)15-2-6(13)14/h1,3H,2H2,(H,13,14)
InChIKeyDSDZPJIMGNPHPU-UHFFFAOYSA-N
MW222.12 g/mol
LogP0.96
Rot. Bonds3

About 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid

2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid (PubChem CID 94077245) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
PubChem CID94077245
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
SMILESO=C(O)COc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)4-1-5(12-3-11-4)15-2-6(13)14/h1,3H,2H2,(H,13,14)
InChIKeyDSDZPJIMGNPHPU-UHFFFAOYSA-N
XLogP0.96
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid (CID 94077245) is 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid is O=C(O)COc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The InChIKey is DSDZPJIMGNPHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)4-1-5(12-3-11-4)15-2-6(13)14/h1,3H,2H2,(H,13,14).
What are the key properties of 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid has a molecular weight of 222.12 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 94077245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).