2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid

C11H12F3NO3 — CID 81320098

IUPAC2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(C)(Cn1c(C(F)(F)F)cccc1=O)C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-10(2,9(17)18)6-15-7(11(12,13)14)4-3-5-8(15)16/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyXOQMMTVCZUXRGA-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.98
Rot. Bonds3

About 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid

2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid (PubChem CID 81320098) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
PubChem CID81320098
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(C)(Cn1c(C(F)(F)F)cccc1=O)C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-10(2,9(17)18)6-15-7(11(12,13)14)4-3-5-8(15)16/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyXOQMMTVCZUXRGA-UHFFFAOYSA-N
XLogP1.98
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid (CID 81320098) is 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid is CC(C)(Cn1c(C(F)(F)F)cccc1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The InChIKey is XOQMMTVCZUXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-10(2,9(17)18)6-15-7(11(12,13)14)4-3-5-8(15)16/h3-5H,6H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid has a molecular weight of 263.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 81320098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).