4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride

C6H2ClF2I2NO2S — CID 118829623

IUPAC4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(I)cc(C(F)F)c1I
InChIInChI=1S/C6H2ClF2I2NO2S/c7-15(13,14)6-4(11)2(5(8)9)1-3(10)12-6/h1,5H
InChIKeyRKBLSBTUBACMOL-UHFFFAOYSA-N
MW479.41 g/mol
LogP3.16
Rot. Bonds2

About 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride

4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride (PubChem CID 118829623) has the molecular formula C6H2ClF2I2NO2S and a molecular weight of 479.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
PubChem CID118829623
Molecular FormulaC6H2ClF2I2NO2S
Molecular Weight479.41 g/mol
Exact Mass478.76
IUPAC Name4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(I)cc(C(F)F)c1I
InChIInChI=1S/C6H2ClF2I2NO2S/c7-15(13,14)6-4(11)2(5(8)9)1-3(10)12-6/h1,5H
InChIKeyRKBLSBTUBACMOL-UHFFFAOYSA-N
XLogP3.16
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride 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

6-cyano-4-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 130077741
4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
CID 118851946
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
CID 118811667
6-amino-5-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103054
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
5-(difluoromethyl)-3-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131451795
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
4-(difluoromethyl)-5-iodo-6-methylpyridine-2-sulfonamide
CID 118840925
6-(difluoromethyl)-5-iodo-4-methylpyridine-2-sulfonyl chloride
CID 118815349

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride (CID 118829623) is 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc(I)cc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride?
The InChIKey is RKBLSBTUBACMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2I2NO2S/c7-15(13,14)6-4(11)2(5(8)9)1-3(10)12-6/h1,5H.
What are the key properties of 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride?
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride has a molecular weight of 479.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 118829623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).