lithium 4-chloropyridine-2-sulfinate

C5H3ClLiNO2S — CID 154734119

IUPAClithium 4-chloropyridine-2-sulfinate
SMILESO=S([O-])c1cc(Cl)ccn1.[Li+]
InChIInChI=1S/C5H4ClNO2S.Li/c6-4-1-2-7-5(3-4)10(8)9;/h1-3H,(H,8,9);/q;+1/p-1
InChIKeyCRLMVRZELBOMLC-UHFFFAOYSA-M
MW183.55 g/mol
LogP-2.02
Rot. Bonds1

About lithium 4-chloropyridine-2-sulfinate

lithium 4-chloropyridine-2-sulfinate (PubChem CID 154734119) has the molecular formula C5H3ClLiNO2S and a molecular weight of 183.55 g/mol. Its IUPAC name is lithium 4-chloropyridine-2-sulfinate.

Molecular Properties

Compound Namelithium 4-chloropyridine-2-sulfinate
PubChem CID154734119
Molecular FormulaC5H3ClLiNO2S
Molecular Weight183.55 g/mol
Exact Mass182.97
IUPAC Namelithium 4-chloropyridine-2-sulfinate
SMILESO=S([O-])c1cc(Cl)ccn1.[Li+]
InChIInChI=1S/C5H4ClNO2S.Li/c6-4-1-2-7-5(3-4)10(8)9;/h1-3H,(H,8,9);/q;+1/p-1
InChIKeyCRLMVRZELBOMLC-UHFFFAOYSA-M
XLogP-2.02
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.55
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 4-chloropyridine-2-sulfinate?
The IUPAC name of lithium 4-chloropyridine-2-sulfinate (CID 154734119) is lithium 4-chloropyridine-2-sulfinate.
What is the SMILES notation for lithium 4-chloropyridine-2-sulfinate?
The canonical SMILES for lithium 4-chloropyridine-2-sulfinate is O=S([O-])c1cc(Cl)ccn1.[Li+].
What is the InChIKey of lithium 4-chloropyridine-2-sulfinate?
The InChIKey is CRLMVRZELBOMLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4ClNO2S.Li/c6-4-1-2-7-5(3-4)10(8)9;/h1-3H,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 4-chloropyridine-2-sulfinate?
lithium 4-chloropyridine-2-sulfinate has a molecular weight of 183.55 g/mol, XLogP of -2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-chloropyridine-2-sulfinate is sourced from PubChem (CID 154734119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).