2-chloro-6-methylpyridine-3-sulfonyl chloride

C6H5Cl2NO2S — CID 55280564

IUPAC2-chloro-6-methylpyridine-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(Cl)n1
InChIInChI=1S/C6H5Cl2NO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3
InChIKeyXFQBLBYYFLUHGZ-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.97
Rot. Bonds1

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

2-chloro-6-methylpyridine-3-sulfonyl chloride (PubChem CID 55280564) has the molecular formula C6H5Cl2NO2S and a molecular weight of 226.08 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-6-methylpyridine-3-sulfonyl chloride
PubChem CID55280564
Molecular FormulaC6H5Cl2NO2S
Molecular Weight226.08 g/mol
Exact Mass224.94
IUPAC Name2-chloro-6-methylpyridine-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)Cl)c(Cl)n1
InChIInChI=1S/C6H5Cl2NO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3
InChIKeyXFQBLBYYFLUHGZ-UHFFFAOYSA-N
XLogP1.97
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-methylpyridine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 2-chloro-6-methylpyridine-3-sulfonyl chloride (CID 55280564) is 2-chloro-6-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-chloro-6-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 2-chloro-6-methylpyridine-3-sulfonyl chloride is Cc1ccc(S(=O)(=O)Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methylpyridine-3-sulfonyl chloride?
The InChIKey is XFQBLBYYFLUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2S/c1-4-2-3-5(6(7)9-4)12(8,10)11/h2-3H,1H3.
What are the key properties of 2-chloro-6-methylpyridine-3-sulfonyl chloride?
2-chloro-6-methylpyridine-3-sulfonyl chloride has a molecular weight of 226.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 55280564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).