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

C8H5F4NO3 — CID 142458850

IUPAC2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C8H5F4NO3/c9-4-1-5(8(10,11)12)7(16)13(2-4)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyWZLXUPYMWHGBEO-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.09
Rot. Bonds2

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

2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 142458850) has the molecular formula C8H5F4NO3 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID142458850
Molecular FormulaC8H5F4NO3
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(F)cc(C(F)(F)F)c1=O
InChIInChI=1S/C8H5F4NO3/c9-4-1-5(8(10,11)12)7(16)13(2-4)3-6(14)15/h1-2H,3H2,(H,14,15)
InChIKeyWZLXUPYMWHGBEO-UHFFFAOYSA-N
XLogP1.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 142458850) is 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid is O=C(O)Cn1cc(F)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is WZLXUPYMWHGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO3/c9-4-1-5(8(10,11)12)7(16)13(2-4)3-6(14)15/h1-2H,3H2,(H,14,15).
What are the key properties of 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 239.12 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 142458850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).