lithium 4-aminopyridine-2-sulfinate

C5H5LiN2O2S — CID 154727201

IUPAClithium 4-aminopyridine-2-sulfinate
SMILESNc1ccnc(S(=O)[O-])c1.[Li+]
InChIInChI=1S/C5H6N2O2S.Li/c6-4-1-2-7-5(3-4)10(8)9;/h1-3H,(H2,6,7)(H,8,9);/q;+1/p-1
InChIKeyUCONOIVBMRQOCW-UHFFFAOYSA-M
MW164.12 g/mol
LogP-3.09
Rot. Bonds1

About lithium 4-aminopyridine-2-sulfinate

lithium 4-aminopyridine-2-sulfinate (PubChem CID 154727201) has the molecular formula C5H5LiN2O2S and a molecular weight of 164.12 g/mol. Its IUPAC name is lithium 4-aminopyridine-2-sulfinate.

Molecular Properties

Compound Namelithium 4-aminopyridine-2-sulfinate
PubChem CID154727201
Molecular FormulaC5H5LiN2O2S
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Namelithium 4-aminopyridine-2-sulfinate
SMILESNc1ccnc(S(=O)[O-])c1.[Li+]
InChIInChI=1S/C5H6N2O2S.Li/c6-4-1-2-7-5(3-4)10(8)9;/h1-3H,(H2,6,7)(H,8,9);/q;+1/p-1
InChIKeyUCONOIVBMRQOCW-UHFFFAOYSA-M
XLogP-3.09
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-3.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminopyridine-2-sulfinate?
The IUPAC name of lithium 4-aminopyridine-2-sulfinate (CID 154727201) is lithium 4-aminopyridine-2-sulfinate.
What is the SMILES notation for lithium 4-aminopyridine-2-sulfinate?
The canonical SMILES for lithium 4-aminopyridine-2-sulfinate is Nc1ccnc(S(=O)[O-])c1.[Li+].
What is the InChIKey of lithium 4-aminopyridine-2-sulfinate?
The InChIKey is UCONOIVBMRQOCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O2S.Li/c6-4-1-2-7-5(3-4)10(8)9;/h1-3H,(H2,6,7)(H,8,9);/q;+1/p-1.
What are the key properties of lithium 4-aminopyridine-2-sulfinate?
lithium 4-aminopyridine-2-sulfinate has a molecular weight of 164.12 g/mol, XLogP of -3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-aminopyridine-2-sulfinate is sourced from PubChem (CID 154727201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).