potassium 6-chloropyridine-2-sulfonate

C5H3ClKNO3S — CID 23713291

IUPACpotassium 6-chloropyridine-2-sulfonate
SMILESO=S(=O)([O-])c1cccc(Cl)n1.[K+]
InChIInChI=1S/C5H4ClNO3S.K/c6-4-2-1-3-5(7-4)11(8,9)10;/h1-3H,(H,8,9,10);/q;+1/p-1
InChIKeyQGZXQHVXSNXCSD-UHFFFAOYSA-M
MW231.70 g/mol
LogP-2.36
Rot. Bonds1

About potassium 6-chloropyridine-2-sulfonate

potassium 6-chloropyridine-2-sulfonate (PubChem CID 23713291) has the molecular formula C5H3ClKNO3S and a molecular weight of 231.70 g/mol. Its IUPAC name is potassium 6-chloropyridine-2-sulfonate.

Molecular Properties

Compound Namepotassium 6-chloropyridine-2-sulfonate
PubChem CID23713291
Molecular FormulaC5H3ClKNO3S
Molecular Weight231.70 g/mol
Exact Mass230.92
IUPAC Namepotassium 6-chloropyridine-2-sulfonate
SMILESO=S(=O)([O-])c1cccc(Cl)n1.[K+]
InChIInChI=1S/C5H4ClNO3S.K/c6-4-2-1-3-5(7-4)11(8,9)10;/h1-3H,(H,8,9,10);/q;+1/p-1
InChIKeyQGZXQHVXSNXCSD-UHFFFAOYSA-M
XLogP-2.36
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 5-2.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 potassium 6-chloropyridine-2-sulfonate?
The IUPAC name of potassium 6-chloropyridine-2-sulfonate (CID 23713291) is potassium 6-chloropyridine-2-sulfonate.
What is the SMILES notation for potassium 6-chloropyridine-2-sulfonate?
The canonical SMILES for potassium 6-chloropyridine-2-sulfonate is O=S(=O)([O-])c1cccc(Cl)n1.[K+].
What is the InChIKey of potassium 6-chloropyridine-2-sulfonate?
The InChIKey is QGZXQHVXSNXCSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4ClNO3S.K/c6-4-2-1-3-5(7-4)11(8,9)10;/h1-3H,(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium 6-chloropyridine-2-sulfonate?
potassium 6-chloropyridine-2-sulfonate has a molecular weight of 231.70 g/mol, XLogP of -2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-chloropyridine-2-sulfonate is sourced from PubChem (CID 23713291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).