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

C6H5Cl2NO2S — CID 55207073

IUPAC6-chloro-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO2S/c1-4-5(12(8,10)11)2-3-6(7)9-4/h2-3H,1H3
InChIKeyIMKNTDZQBJFGQR-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.97
Rot. Bonds1

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

6-chloro-2-methylpyridine-3-sulfonyl chloride (PubChem CID 55207073) has the molecular formula C6H5Cl2NO2S and a molecular weight of 226.08 g/mol. Its IUPAC name is 6-chloro-2-methylpyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-methylpyridine-3-sulfonyl chloride
PubChem CID55207073
Molecular FormulaC6H5Cl2NO2S
Molecular Weight226.08 g/mol
Exact Mass224.94
IUPAC Name6-chloro-2-methylpyridine-3-sulfonyl chloride
SMILESCc1nc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO2S/c1-4-5(12(8,10)11)2-3-6(7)9-4/h2-3H,1H3
InChIKeyIMKNTDZQBJFGQR-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylpyridine-3-sulfonyl chloride?
The IUPAC name of 6-chloro-2-methylpyridine-3-sulfonyl chloride (CID 55207073) is 6-chloro-2-methylpyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2-methylpyridine-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-2-methylpyridine-3-sulfonyl chloride is Cc1nc(Cl)ccc1S(=O)(=O)Cl.
What is the InChIKey of 6-chloro-2-methylpyridine-3-sulfonyl chloride?
The InChIKey is IMKNTDZQBJFGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2S/c1-4-5(12(8,10)11)2-3-6(7)9-4/h2-3H,1H3.
What are the key properties of 6-chloro-2-methylpyridine-3-sulfonyl chloride?
6-chloro-2-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 6-chloro-2-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 55207073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).