5-bromo-6-chloropyridine-3-sulfonyl chloride

C5H2BrCl2NO2S — CID 2793626

IUPAC5-bromo-6-chloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H2BrCl2NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H
InChIKeyTURGMVYIESHZBE-UHFFFAOYSA-N
MW290.95 g/mol
LogP2.42
Rot. Bonds1

About 5-bromo-6-chloropyridine-3-sulfonyl chloride

5-bromo-6-chloropyridine-3-sulfonyl chloride (PubChem CID 2793626) has the molecular formula C5H2BrCl2NO2S and a molecular weight of 290.95 g/mol. Its IUPAC name is 5-bromo-6-chloropyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-6-chloropyridine-3-sulfonyl chloride
PubChem CID2793626
Molecular FormulaC5H2BrCl2NO2S
Molecular Weight290.95 g/mol
Exact Mass288.84
IUPAC Name5-bromo-6-chloropyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H2BrCl2NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H
InChIKeyTURGMVYIESHZBE-UHFFFAOYSA-N
XLogP2.42
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.95
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridine-3-sulfonyl chloride?
The IUPAC name of 5-bromo-6-chloropyridine-3-sulfonyl chloride (CID 2793626) is 5-bromo-6-chloropyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-bromo-6-chloropyridine-3-sulfonyl chloride?
The canonical SMILES for 5-bromo-6-chloropyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridine-3-sulfonyl chloride?
The InChIKey is TURGMVYIESHZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrCl2NO2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H.
What are the key properties of 5-bromo-6-chloropyridine-3-sulfonyl chloride?
5-bromo-6-chloropyridine-3-sulfonyl chloride has a molecular weight of 290.95 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloropyridine-3-sulfonyl chloride is sourced from PubChem (CID 2793626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).