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

C6H2BrCl2F2NO2S — CID 130108459

IUPAC6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)c(Br)nc1Cl
InChIInChI=1S/C6H2BrCl2F2NO2S/c7-4-2(6(10)11)1-3(5(8)12-4)15(9,13)14/h1,6H
InChIKeyDCQTUNWLWHQQPP-UHFFFAOYSA-N
MW340.96 g/mol
LogP3.36
Rot. Bonds2

About 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride

6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride (PubChem CID 130108459) has the molecular formula C6H2BrCl2F2NO2S and a molecular weight of 340.96 g/mol. Its IUPAC name is 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
PubChem CID130108459
Molecular FormulaC6H2BrCl2F2NO2S
Molecular Weight340.96 g/mol
Exact Mass338.83
IUPAC Name6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(C(F)F)c(Br)nc1Cl
InChIInChI=1S/C6H2BrCl2F2NO2S/c7-4-2(6(10)11)1-3(5(8)12-4)15(9,13)14/h1,6H
InChIKeyDCQTUNWLWHQQPP-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

6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride
CID 146372412
2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine
CID 119017908
2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
6-bromo-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131314333
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 130074002
6-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118837901
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118811600
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069001
6-amino-2-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103708

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride (CID 130108459) is 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cc(C(F)F)c(Br)nc1Cl.
What is the InChIKey of 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
The InChIKey is DCQTUNWLWHQQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F2NO2S/c7-4-2(6(10)11)1-3(5(8)12-4)15(9,13)14/h1,6H.
What are the key properties of 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride?
6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-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 6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130108459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).