6-bromopyridine-3-sulfonyl chloride

C5H3BrClNO2S — CID 52988252

IUPAC6-bromopyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)nc1
InChIInChI=1S/C5H3BrClNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyILKASQDZWIHVOO-UHFFFAOYSA-N
MW256.51 g/mol
LogP1.77
Rot. Bonds1

About 6-bromopyridine-3-sulfonyl chloride

6-bromopyridine-3-sulfonyl chloride (PubChem CID 52988252) has the molecular formula C5H3BrClNO2S and a molecular weight of 256.51 g/mol. Its IUPAC name is 6-bromopyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-bromopyridine-3-sulfonyl chloride
PubChem CID52988252
Molecular FormulaC5H3BrClNO2S
Molecular Weight256.51 g/mol
Exact Mass254.88
IUPAC Name6-bromopyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)nc1
InChIInChI=1S/C5H3BrClNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKeyILKASQDZWIHVOO-UHFFFAOYSA-N
XLogP1.77
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.51
LogP ≤ 51.77
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 6-bromopyridine-3-sulfonyl chloride?
The IUPAC name of 6-bromopyridine-3-sulfonyl chloride (CID 52988252) is 6-bromopyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-bromopyridine-3-sulfonyl chloride?
The canonical SMILES for 6-bromopyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)nc1.
What is the InChIKey of 6-bromopyridine-3-sulfonyl chloride?
The InChIKey is ILKASQDZWIHVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H.
What are the key properties of 6-bromopyridine-3-sulfonyl chloride?
6-bromopyridine-3-sulfonyl chloride has a molecular weight of 256.51 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-3-sulfonyl chloride is sourced from PubChem (CID 52988252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).