6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride

C6H2BrClF2INO2S — CID 130068552

IUPAC6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(Br)cc(I)c1C(F)F
InChIInChI=1S/C6H2BrClF2INO2S/c7-3-1-2(11)4(5(9)10)6(12-3)15(8,13)14/h1,5H
InChIKeyWBYASFMMFGZVGX-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.31
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride

6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride (PubChem CID 130068552) has the molecular formula C6H2BrClF2INO2S and a molecular weight of 432.41 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
PubChem CID130068552
Molecular FormulaC6H2BrClF2INO2S
Molecular Weight432.41 g/mol
Exact Mass430.77
IUPAC Name6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc(Br)cc(I)c1C(F)F
InChIInChI=1S/C6H2BrClF2INO2S/c7-3-1-2(11)4(5(9)10)6(12-3)15(8,13)14/h1,5H
InChIKeyWBYASFMMFGZVGX-UHFFFAOYSA-N
XLogP3.31
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.31
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 6-bromo-3-(difluoromethyl)-4-iodopyridine-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride (CID 130068552) is 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nc(Br)cc(I)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride?
The InChIKey is WBYASFMMFGZVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2INO2S/c7-3-1-2(11)4(5(9)10)6(12-3)15(8,13)14/h1,5H.
What are the key properties of 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride?
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride has a molecular weight of 432.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 130068552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).