5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride

C6H2BrCl2F2NO2S — CID 130108482

IUPAC5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)cnc(Cl)c1C(F)F
InChIInChI=1S/C6H2BrCl2F2NO2S/c7-2-1-12-5(8)3(6(10)11)4(2)15(9,13)14/h1,6H
InChIKeyDJNNAJTWUWTBIK-UHFFFAOYSA-N
MW340.96 g/mol
LogP3.36
Rot. Bonds2

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

5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride (PubChem CID 130108482) has the molecular formula C6H2BrCl2F2NO2S and a molecular weight of 340.96 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
PubChem CID130108482
Molecular FormulaC6H2BrCl2F2NO2S
Molecular Weight340.96 g/mol
Exact Mass338.83
IUPAC Name5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)cnc(Cl)c1C(F)F
InChIInChI=1S/C6H2BrCl2F2NO2S/c7-2-1-12-5(8)3(6(10)11)4(2)15(9,13)14/h1,6H
InChIKeyDJNNAJTWUWTBIK-UHFFFAOYSA-N
XLogP3.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.96
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
2-chloro-3-(difluoromethyl)-5-hydroxypyridine-4-sulfonamide
CID 130072896
2-chloro-3-(difluoromethyl)-5-methylpyridine-4-sulfonamide
CID 130074581
5-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonyl chloride
CID 130069032
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118811600
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-sulfonamide
CID 130103132
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
4-bromo-5-(difluoromethyl)-2-fluoropyridine-3-sulfonyl chloride
CID 118850691
2-cyano-3-(difluoromethyl)-5-fluoropyridine-4-sulfonyl chloride
CID 130076336
4-amino-2-bromo-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 118850596

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The IUPAC name of 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride (CID 130108482) is 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride.
What is the SMILES notation for 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The canonical SMILES for 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride is O=S(=O)(Cl)c1c(Br)cnc(Cl)c1C(F)F.
What is the InChIKey of 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
The InChIKey is DJNNAJTWUWTBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F2NO2S/c7-2-1-12-5(8)3(6(10)11)4(2)15(9,13)14/h1,6H.
What are the key properties of 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride?
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride has a molecular weight of 340.96 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride is sourced from PubChem (CID 130108482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).