2-chloro-5-methoxypyridine-3-sulfonyl chloride

C6H5Cl2NO3S — CID 55279372

IUPAC2-chloro-5-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cnc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H5Cl2NO3S/c1-12-4-2-5(13(8,10)11)6(7)9-3-4/h2-3H,1H3
InChIKeyCHUDRLIRFODEIB-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.67
Rot. Bonds2

About 2-chloro-5-methoxypyridine-3-sulfonyl chloride

2-chloro-5-methoxypyridine-3-sulfonyl chloride (PubChem CID 55279372) has the molecular formula C6H5Cl2NO3S and a molecular weight of 242.08 g/mol. Its IUPAC name is 2-chloro-5-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-methoxypyridine-3-sulfonyl chloride
PubChem CID55279372
Molecular FormulaC6H5Cl2NO3S
Molecular Weight242.08 g/mol
Exact Mass240.94
IUPAC Name2-chloro-5-methoxypyridine-3-sulfonyl chloride
SMILESCOc1cnc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H5Cl2NO3S/c1-12-4-2-5(13(8,10)11)6(7)9-3-4/h2-3H,1H3
InChIKeyCHUDRLIRFODEIB-UHFFFAOYSA-N
XLogP1.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 2-chloro-5-methoxypyridine-3-sulfonyl chloride (CID 55279372) is 2-chloro-5-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-chloro-5-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 2-chloro-5-methoxypyridine-3-sulfonyl chloride is COc1cnc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-methoxypyridine-3-sulfonyl chloride?
The InChIKey is CHUDRLIRFODEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO3S/c1-12-4-2-5(13(8,10)11)6(7)9-3-4/h2-3H,1H3.
What are the key properties of 2-chloro-5-methoxypyridine-3-sulfonyl chloride?
2-chloro-5-methoxypyridine-3-sulfonyl chloride has a molecular weight of 242.08 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 55279372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).