2-bromo-6-methylpyridine-3-sulfonyl chloride

C6H5BrClNO2S — CID 116684753

IUPAC2-bromo-6-methylpyridine-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(Br)n1
InChIInChI=1S/C6H5BrClNO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3
InChIKeyJHDIGQSFTKBJSN-UHFFFAOYSA-N
MW270.54 g/mol
LogP2.08
Rot. Bonds1

About 2-bromo-6-methylpyridine-3-sulfonyl chloride

2-bromo-6-methylpyridine-3-sulfonyl chloride (PubChem CID 116684753) has the molecular formula C6H5BrClNO2S and a molecular weight of 270.54 g/mol. Its IUPAC name is 2-bromo-6-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-6-methylpyridine-3-sulfonyl chloride
PubChem CID116684753
Molecular FormulaC6H5BrClNO2S
Molecular Weight270.54 g/mol
Exact Mass268.89
IUPAC Name2-bromo-6-methylpyridine-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(Br)n1
InChIInChI=1S/C6H5BrClNO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3
InChIKeyJHDIGQSFTKBJSN-UHFFFAOYSA-N
XLogP2.08
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.08
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 2-bromo-6-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-bromo-6-methylpyridine-3-sulfonyl chloride (CID 116684753) is 2-bromo-6-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-6-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-6-methylpyridine-3-sulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)c(Br)n1.
What is the InChIKey of 2-bromo-6-methylpyridine-3-sulfonyl chloride?
The InChIKey is JHDIGQSFTKBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3.
What are the key properties of 2-bromo-6-methylpyridine-3-sulfonyl chloride?
2-bromo-6-methylpyridine-3-sulfonyl chloride has a molecular weight of 270.54 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 116684753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).