2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride

C6H5Cl2NO3S — CID 172614380

IUPAC2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride
SMILESCn1c(Cl)cc(S(=O)(=O)Cl)cc1=O
InChIInChI=1S/C6H5Cl2NO3S/c1-9-5(7)2-4(3-6(9)10)13(8,11)12/h2-3H,1H3
InChIKeyDLTWRRYZNFYTSP-UHFFFAOYSA-N
MW242.08 g/mol
LogP0.97
Rot. Bonds1

About 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride

2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride (PubChem CID 172614380) has the molecular formula C6H5Cl2NO3S and a molecular weight of 242.08 g/mol. Its IUPAC name is 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride
PubChem CID172614380
Molecular FormulaC6H5Cl2NO3S
Molecular Weight242.08 g/mol
Exact Mass240.94
IUPAC Name2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride
SMILESCn1c(Cl)cc(S(=O)(=O)Cl)cc1=O
InChIInChI=1S/C6H5Cl2NO3S/c1-9-5(7)2-4(3-6(9)10)13(8,11)12/h2-3H,1H3
InChIKeyDLTWRRYZNFYTSP-UHFFFAOYSA-N
XLogP0.97
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-chloro-3,5-difluorobenzenesulfonyl chloride
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1,3,3,7-tetramethyl-2-oxoindole-5-sulfonyl chloride
CID 102533920
3-methyl-2-oxo-1,3-benzothiazole-6-sulfonyl chloride
CID 4912760
4-(5-amino-4-fluoro-2-methylphenyl)-6-chloro-1-methylpyridin-2-one
CID 168930193
3-hydroxy-4,5-dimethylbenzenesulfonyl chloride
CID 130769314
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
3-chloro-5-cyano-4-methylbenzenesulfonyl chloride
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4-chloro-3-propan-2-ylbenzenesulfonyl chloride
CID 58268238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride?
The IUPAC name of 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride (CID 172614380) is 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride.
What is the SMILES notation for 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride?
The canonical SMILES for 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride is Cn1c(Cl)cc(S(=O)(=O)Cl)cc1=O.
What is the InChIKey of 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride?
The InChIKey is DLTWRRYZNFYTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO3S/c1-9-5(7)2-4(3-6(9)10)13(8,11)12/h2-3H,1H3.
What are the key properties of 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride?
2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride has a molecular weight of 242.08 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-6-oxopyridine-4-sulfonyl chloride is sourced from PubChem (CID 172614380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).