2-fluoro-2-pyridin-2-ylsulfonylacetic acid

C7H6FNO4S — CID 169034274

IUPAC2-fluoro-2-pyridin-2-ylsulfonylacetic acid
SMILESO=C(O)C(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C7H6FNO4S/c8-6(7(10)11)14(12,13)5-3-1-2-4-9-5/h1-4,6H,(H,10,11)
InChIKeyLAFWOQLUKZAMII-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.24
Rot. Bonds3

About 2-fluoro-2-pyridin-2-ylsulfonylacetic acid

2-fluoro-2-pyridin-2-ylsulfonylacetic acid (PubChem CID 169034274) has the molecular formula C7H6FNO4S and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-fluoro-2-pyridin-2-ylsulfonylacetic acid.

Molecular Properties

Compound Name2-fluoro-2-pyridin-2-ylsulfonylacetic acid
PubChem CID169034274
Molecular FormulaC7H6FNO4S
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name2-fluoro-2-pyridin-2-ylsulfonylacetic acid
SMILESO=C(O)C(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C7H6FNO4S/c8-6(7(10)11)14(12,13)5-3-1-2-4-9-5/h1-4,6H,(H,10,11)
InChIKeyLAFWOQLUKZAMII-UHFFFAOYSA-N
XLogP0.24
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-pyridin-2-ylsulfonylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-pyridin-2-ylsulfonylacetic acid?
The IUPAC name of 2-fluoro-2-pyridin-2-ylsulfonylacetic acid (CID 169034274) is 2-fluoro-2-pyridin-2-ylsulfonylacetic acid.
What is the SMILES notation for 2-fluoro-2-pyridin-2-ylsulfonylacetic acid?
The canonical SMILES for 2-fluoro-2-pyridin-2-ylsulfonylacetic acid is O=C(O)C(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-fluoro-2-pyridin-2-ylsulfonylacetic acid?
The InChIKey is LAFWOQLUKZAMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO4S/c8-6(7(10)11)14(12,13)5-3-1-2-4-9-5/h1-4,6H,(H,10,11).
What are the key properties of 2-fluoro-2-pyridin-2-ylsulfonylacetic acid?
2-fluoro-2-pyridin-2-ylsulfonylacetic acid has a molecular weight of 219.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-pyridin-2-ylsulfonylacetic acid is sourced from PubChem (CID 169034274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).