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

C8H7F3N2O3 — CID 94077273

IUPAC2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
SMILESCc1nc(OCC(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-4-12-5(8(9,10)11)2-6(13-4)16-3-7(14)15/h2H,3H2,1H3,(H,14,15)
InChIKeyCQTXTSJXRVKUGB-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.27
Rot. Bonds3

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

2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid (PubChem CID 94077273) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
PubChem CID94077273
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
SMILESCc1nc(OCC(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O3/c1-4-12-5(8(9,10)11)2-6(13-4)16-3-7(14)15/h2H,3H2,1H3,(H,14,15)
InChIKeyCQTXTSJXRVKUGB-UHFFFAOYSA-N
XLogP1.27
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid (CID 94077273) is 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid is Cc1nc(OCC(=O)O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
The InChIKey is CQTXTSJXRVKUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-4-12-5(8(9,10)11)2-6(13-4)16-3-7(14)15/h2H,3H2,1H3,(H,14,15).
What are the key properties of 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid?
2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid has a molecular weight of 236.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 94077273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).