2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid

C8H5F4NO3 — CID 81318784

IUPAC2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)C(F)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C8H5F4NO3/c9-6(7(15)16)13-4(8(10,11)12)2-1-3-5(13)14/h1-3,6H,(H,15,16)
InChIKeyDBUBKHCGUGMRTI-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.42
Rot. Bonds2

About 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid

2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 81318784) has the molecular formula C8H5F4NO3 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID81318784
Molecular FormulaC8H5F4NO3
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESO=C(O)C(F)n1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C8H5F4NO3/c9-6(7(15)16)13-4(8(10,11)12)2-1-3-5(13)14/h1-3,6H,(H,15,16)
InChIKeyDBUBKHCGUGMRTI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 81318784) is 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid is O=C(O)C(F)n1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is DBUBKHCGUGMRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO3/c9-6(7(15)16)13-4(8(10,11)12)2-1-3-5(13)14/h1-3,6H,(H,15,16).
What are the key properties of 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 239.12 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 81318784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).