2,6-dichloropyridine-3-sulfonic acid;hydrochloride

C5H4Cl3NO3S — CID 174865536

IUPAC2,6-dichloropyridine-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2NO3S.ClH/c6-4-2-1-3(5(7)8-4)12(9,10)11;/h1-2H,(H,9,10,11);1H
InChIKeyFLKODCUOISUXTH-UHFFFAOYSA-N
MW264.52 g/mol
LogP2.06
Rot. Bonds1

About 2,6-dichloropyridine-3-sulfonic acid;hydrochloride

2,6-dichloropyridine-3-sulfonic acid;hydrochloride (PubChem CID 174865536) has the molecular formula C5H4Cl3NO3S and a molecular weight of 264.52 g/mol. Its IUPAC name is 2,6-dichloropyridine-3-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name2,6-dichloropyridine-3-sulfonic acid;hydrochloride
PubChem CID174865536
Molecular FormulaC5H4Cl3NO3S
Molecular Weight264.52 g/mol
Exact Mass262.90
IUPAC Name2,6-dichloropyridine-3-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C5H3Cl2NO3S.ClH/c6-4-2-1-3(5(7)8-4)12(9,10)11;/h1-2H,(H,9,10,11);1H
InChIKeyFLKODCUOISUXTH-UHFFFAOYSA-N
XLogP2.06
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-3-sulfonic acid;hydrochloride?
The IUPAC name of 2,6-dichloropyridine-3-sulfonic acid;hydrochloride (CID 174865536) is 2,6-dichloropyridine-3-sulfonic acid;hydrochloride.
What is the SMILES notation for 2,6-dichloropyridine-3-sulfonic acid;hydrochloride?
The canonical SMILES for 2,6-dichloropyridine-3-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloropyridine-3-sulfonic acid;hydrochloride?
The InChIKey is FLKODCUOISUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO3S.ClH/c6-4-2-1-3(5(7)8-4)12(9,10)11;/h1-2H,(H,9,10,11);1H.
What are the key properties of 2,6-dichloropyridine-3-sulfonic acid;hydrochloride?
2,6-dichloropyridine-3-sulfonic acid;hydrochloride has a molecular weight of 264.52 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyridine-3-sulfonic acid;hydrochloride is sourced from PubChem (CID 174865536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).