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

C10H10F3NO3 — CID 81318896

IUPAC2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(Cn1c(C(F)(F)F)cccc1=O)C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-6(9(16)17)5-14-7(10(11,12)13)3-2-4-8(14)15/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeySVWRVYHWJQGCGY-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.59
Rot. Bonds3

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

2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid (PubChem CID 81318896) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
PubChem CID81318896
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
SMILESCC(Cn1c(C(F)(F)F)cccc1=O)C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-6(9(16)17)5-14-7(10(11,12)13)3-2-4-8(14)15/h2-4,6H,5H2,1H3,(H,16,17)
InChIKeySVWRVYHWJQGCGY-UHFFFAOYSA-N
XLogP1.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid (CID 81318896) is 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid is CC(Cn1c(C(F)(F)F)cccc1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
The InChIKey is SVWRVYHWJQGCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6(9(16)17)5-14-7(10(11,12)13)3-2-4-8(14)15/h2-4,6H,5H2,1H3,(H,16,17).
What are the key properties of 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid?
2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid has a molecular weight of 249.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 81318896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).