sodium;6-chloropyridine-2-sulfonic acid;hydride

C5H5ClNNaO3S — CID 173343828

IUPACsodium;6-chloropyridine-2-sulfonic acid;hydride
SMILESO=S(=O)(O)c1cccc(Cl)n1.[H-].[Na+]
InChIInChI=1S/C5H4ClNO3S.Na.H/c6-4-2-1-3-5(7-4)11(8,9)10;;/h1-3H,(H,8,9,10);;/q;+1;-1
InChIKeySPOLEUNQZRKNBV-UHFFFAOYSA-N
MW217.61 g/mol
LogP-1.90
Rot. Bonds1

About sodium;6-chloropyridine-2-sulfonic acid;hydride

sodium;6-chloropyridine-2-sulfonic acid;hydride (PubChem CID 173343828) has the molecular formula C5H5ClNNaO3S and a molecular weight of 217.61 g/mol. Its IUPAC name is sodium;6-chloropyridine-2-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;6-chloropyridine-2-sulfonic acid;hydride
PubChem CID173343828
Molecular FormulaC5H5ClNNaO3S
Molecular Weight217.61 g/mol
Exact Mass216.96
IUPAC Namesodium;6-chloropyridine-2-sulfonic acid;hydride
SMILESO=S(=O)(O)c1cccc(Cl)n1.[H-].[Na+]
InChIInChI=1S/C5H4ClNO3S.Na.H/c6-4-2-1-3-5(7-4)11(8,9)10;;/h1-3H,(H,8,9,10);;/q;+1;-1
InChIKeySPOLEUNQZRKNBV-UHFFFAOYSA-N
XLogP-1.90
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 5-1.90
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'}

Analyze sodium;6-chloropyridine-2-sulfonic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloropyridine-2-sulfonic acid;hydride?
The IUPAC name of sodium;6-chloropyridine-2-sulfonic acid;hydride (CID 173343828) is sodium;6-chloropyridine-2-sulfonic acid;hydride.
What is the SMILES notation for sodium;6-chloropyridine-2-sulfonic acid;hydride?
The canonical SMILES for sodium;6-chloropyridine-2-sulfonic acid;hydride is O=S(=O)(O)c1cccc(Cl)n1.[H-].[Na+].
What is the InChIKey of sodium;6-chloropyridine-2-sulfonic acid;hydride?
The InChIKey is SPOLEUNQZRKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO3S.Na.H/c6-4-2-1-3-5(7-4)11(8,9)10;;/h1-3H,(H,8,9,10);;/q;+1;-1.
What are the key properties of sodium;6-chloropyridine-2-sulfonic acid;hydride?
sodium;6-chloropyridine-2-sulfonic acid;hydride has a molecular weight of 217.61 g/mol, XLogP of -1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-chloropyridine-2-sulfonic acid;hydride is sourced from PubChem (CID 173343828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).