4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride

C6H2BrClF2INO2S — CID 118822917

IUPAC4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(I)c(Br)c1C(F)F
InChIInChI=1S/C6H2BrClF2INO2S/c7-4-2(11)1-12-6(15(8,13)14)3(4)5(9)10/h1,5H
InChIKeyMRZWPCTXFNELLO-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.31
Rot. Bonds2

About 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride

4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride (PubChem CID 118822917) has the molecular formula C6H2BrClF2INO2S and a molecular weight of 432.41 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
PubChem CID118822917
Molecular FormulaC6H2BrClF2INO2S
Molecular Weight432.41 g/mol
Exact Mass430.77
IUPAC Name4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncc(I)c(Br)c1C(F)F
InChIInChI=1S/C6H2BrClF2INO2S/c7-4-2(11)1-12-6(15(8,13)14)3(4)5(9)10/h1,5H
InChIKeyMRZWPCTXFNELLO-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
6-bromo-3-(difluoromethyl)-4-iodopyridine-2-sulfonyl chloride
CID 130068552
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
5-amino-4-chloro-3-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130103084
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
CID 130107872
5-chloro-4-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130072158
3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130096937
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The IUPAC name of 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride (CID 118822917) is 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1ncc(I)c(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
The InChIKey is MRZWPCTXFNELLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2INO2S/c7-4-2(11)1-12-6(15(8,13)14)3(4)5(9)10/h1,5H.
What are the key properties of 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride?
4-bromo-3-(difluoromethyl)-5-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 4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride is sourced from PubChem (CID 118822917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).