2,6-dichloro-4-methylsulfonylpyridine

C6H5Cl2NO2S — CID 146177504

IUPAC2,6-dichloro-4-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeyBEJONSVGNXODOK-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.79
Rot. Bonds1

About 2,6-dichloro-4-methylsulfonylpyridine

2,6-dichloro-4-methylsulfonylpyridine (PubChem CID 146177504) has the molecular formula C6H5Cl2NO2S and a molecular weight of 226.08 g/mol. Its IUPAC name is 2,6-dichloro-4-methylsulfonylpyridine.

Molecular Properties

Compound Name2,6-dichloro-4-methylsulfonylpyridine
PubChem CID146177504
Molecular FormulaC6H5Cl2NO2S
Molecular Weight226.08 g/mol
Exact Mass224.94
IUPAC Name2,6-dichloro-4-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeyBEJONSVGNXODOK-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-methylsulfonylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
CID 162033873
2,3,6-trichloro-4-methylsulfonylpyridine
CID 19890392
2-bromo-1,3-dichloro-5-methylsulfonylbenzene
CID 53416560
2-chloro-5-methylsulfonylbenzene-1,3-diamine
CID 130155054
4-chloro-2-methylsulfanyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 80545818
6-chloro-2-methylsulfanyl-N-[(4-methylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 80542468
2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine
CID 138688223
4,6-dichloro-3-methylsulfonylpyridin-2-amine
CID 134119593
4,6-dichloro-2-(methylsulfonylmethyl)pyrimidine
CID 58137114
2-(bromomethyl)-1,3-dichloro-5-methylsulfonylbenzene
CID 53403733
1-(6-chloro-2-methylsulfonylpyrimidin-4-yl)ethanone
CID 133056763
[3,5-bis(methylsulfonyl)phenyl]azanium
CID 23549729

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylsulfonylpyridine?
The IUPAC name of 2,6-dichloro-4-methylsulfonylpyridine (CID 146177504) is 2,6-dichloro-4-methylsulfonylpyridine.
What is the SMILES notation for 2,6-dichloro-4-methylsulfonylpyridine?
The canonical SMILES for 2,6-dichloro-4-methylsulfonylpyridine is CS(=O)(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methylsulfonylpyridine?
The InChIKey is BEJONSVGNXODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)9-6(8)3-4/h2-3H,1H3.
What are the key properties of 2,6-dichloro-4-methylsulfonylpyridine?
2,6-dichloro-4-methylsulfonylpyridine has a molecular weight of 226.08 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylsulfonylpyridine is sourced from PubChem (CID 146177504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).