sodium 2,5-dichloropyridine-3-sulfinate

C5H2Cl2NNaO2S — CID 139269658

IUPACsodium 2,5-dichloropyridine-3-sulfinate
SMILESO=S([O-])c1cc(Cl)cnc1Cl.[Na+]
InChIInChI=1S/C5H3Cl2NO2S.Na/c6-3-1-4(11(9)10)5(7)8-2-3;/h1-2H,(H,9,10);/q;+1/p-1
InChIKeyHIADYDDOJWCMON-UHFFFAOYSA-M
MW234.04 g/mol
LogP-1.37
Rot. Bonds1

About sodium 2,5-dichloropyridine-3-sulfinate

sodium 2,5-dichloropyridine-3-sulfinate (PubChem CID 139269658) has the molecular formula C5H2Cl2NNaO2S and a molecular weight of 234.04 g/mol. Its IUPAC name is sodium 2,5-dichloropyridine-3-sulfinate.

Molecular Properties

Compound Namesodium 2,5-dichloropyridine-3-sulfinate
PubChem CID139269658
Molecular FormulaC5H2Cl2NNaO2S
Molecular Weight234.04 g/mol
Exact Mass232.91
IUPAC Namesodium 2,5-dichloropyridine-3-sulfinate
SMILESO=S([O-])c1cc(Cl)cnc1Cl.[Na+]
InChIInChI=1S/C5H3Cl2NO2S.Na/c6-3-1-4(11(9)10)5(7)8-2-3;/h1-2H,(H,9,10);/q;+1/p-1
InChIKeyHIADYDDOJWCMON-UHFFFAOYSA-M
XLogP-1.37
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2,5-dichloropyridine-3-sulfinate?
The IUPAC name of sodium 2,5-dichloropyridine-3-sulfinate (CID 139269658) is sodium 2,5-dichloropyridine-3-sulfinate.
What is the SMILES notation for sodium 2,5-dichloropyridine-3-sulfinate?
The canonical SMILES for sodium 2,5-dichloropyridine-3-sulfinate is O=S([O-])c1cc(Cl)cnc1Cl.[Na+].
What is the InChIKey of sodium 2,5-dichloropyridine-3-sulfinate?
The InChIKey is HIADYDDOJWCMON-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3Cl2NO2S.Na/c6-3-1-4(11(9)10)5(7)8-2-3;/h1-2H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2,5-dichloropyridine-3-sulfinate?
sodium 2,5-dichloropyridine-3-sulfinate has a molecular weight of 234.04 g/mol, XLogP of -1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,5-dichloropyridine-3-sulfinate is sourced from PubChem (CID 139269658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).