2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid

C11H12F3NO3 — CID 118301547

IUPAC2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCC(C)c1cc(C(F)(F)F)cn(CC(=O)O)c1=O
InChIInChI=1S/C11H12F3NO3/c1-6(2)8-3-7(11(12,13)14)4-15(10(8)18)5-9(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyCQDBAANQWLJFIT-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.08
Rot. Bonds3

About 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid

2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 118301547) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID118301547
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCC(C)c1cc(C(F)(F)F)cn(CC(=O)O)c1=O
InChIInChI=1S/C11H12F3NO3/c1-6(2)8-3-7(11(12,13)14)4-15(10(8)18)5-9(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyCQDBAANQWLJFIT-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 118301547) is 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid is CC(C)c1cc(C(F)(F)F)cn(CC(=O)O)c1=O.
What is the InChIKey of 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is CQDBAANQWLJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-6(2)8-3-7(11(12,13)14)4-15(10(8)18)5-9(16)17/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 263.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-propan-2-yl-5-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 118301547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).