2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine

C8H8F2INO2S — CID 169034295

IUPAC2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine
SMILESO=S(=O)(c1ccccn1)C(F)(F)CCI
InChIInChI=1S/C8H8F2INO2S/c9-8(10,4-5-11)15(13,14)7-3-1-2-6-12-7/h1-3,6H,4-5H2
InChIKeyPPQDTKPXLGBRAN-UHFFFAOYSA-N
MW347.12 g/mol
LogP2.27
Rot. Bonds4

About 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine

2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine (PubChem CID 169034295) has the molecular formula C8H8F2INO2S and a molecular weight of 347.12 g/mol. Its IUPAC name is 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine
PubChem CID169034295
Molecular FormulaC8H8F2INO2S
Molecular Weight347.12 g/mol
Exact Mass346.93
IUPAC Name2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine
SMILESO=S(=O)(c1ccccn1)C(F)(F)CCI
InChIInChI=1S/C8H8F2INO2S/c9-8(10,4-5-11)15(13,14)7-3-1-2-6-12-7/h1-3,6H,4-5H2
InChIKeyPPQDTKPXLGBRAN-UHFFFAOYSA-N
XLogP2.27
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.12
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

3,3-difluoro-N-methyl-3-pyridin-2-ylsulfonylpropan-1-amine
CID 169034286
N-(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl)acetamide
CID 169034299
N-(2,2-difluoro-2-pyridin-2-ylsulfonylethyl)acetamide
CID 169034296
2-(tribromomethylsulfonyl)pyridine
CID 159318212
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
2-(chloromethylsulfonyl)pyridine
CID 54090294
2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
CID 175476137
CID 175476137
2,2-dimethyl-3-pyridin-2-ylsulfonylpropanoic acid
CID 116853081

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine?
The IUPAC name of 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine (CID 169034295) is 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine.
What is the SMILES notation for 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine?
The canonical SMILES for 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine is O=S(=O)(c1ccccn1)C(F)(F)CCI.
What is the InChIKey of 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine?
The InChIKey is PPQDTKPXLGBRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2INO2S/c9-8(10,4-5-11)15(13,14)7-3-1-2-6-12-7/h1-3,6H,4-5H2.
What are the key properties of 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine?
2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine has a molecular weight of 347.12 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-3-iodopropyl)sulfonylpyridine is sourced from PubChem (CID 169034295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).