sodium pyridine-3-sulfinic acid

C5H5NNaO2S+ — CID 19837922

IUPACsodium pyridine-3-sulfinic acid
SMILESO=S(O)c1cccnc1.[Na+]
InChIInChI=1S/C5H5NO2S.Na/c7-9(8)5-2-1-3-6-4-5;/h1-4H,(H,7,8);/q;+1
InChIKeyKCVNFNZJAATRIK-UHFFFAOYSA-N
MW166.16 g/mol
LogP-2.33
Rot. Bonds1

About sodium pyridine-3-sulfinic acid

sodium pyridine-3-sulfinic acid (PubChem CID 19837922) has the molecular formula C5H5NNaO2S+ and a molecular weight of 166.16 g/mol. Its IUPAC name is sodium pyridine-3-sulfinic acid.

Molecular Properties

Compound Namesodium pyridine-3-sulfinic acid
PubChem CID19837922
Molecular FormulaC5H5NNaO2S+
Molecular Weight166.16 g/mol
Exact Mass165.99
IUPAC Namesodium pyridine-3-sulfinic acid
SMILESO=S(O)c1cccnc1.[Na+]
InChIInChI=1S/C5H5NO2S.Na/c7-9(8)5-2-1-3-6-4-5;/h1-4H,(H,7,8);/q;+1
InChIKeyKCVNFNZJAATRIK-UHFFFAOYSA-N
XLogP-2.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-2.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 sodium pyridine-3-sulfinic acid?
The IUPAC name of sodium pyridine-3-sulfinic acid (CID 19837922) is sodium pyridine-3-sulfinic acid.
What is the SMILES notation for sodium pyridine-3-sulfinic acid?
The canonical SMILES for sodium pyridine-3-sulfinic acid is O=S(O)c1cccnc1.[Na+].
What is the InChIKey of sodium pyridine-3-sulfinic acid?
The InChIKey is KCVNFNZJAATRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S.Na/c7-9(8)5-2-1-3-6-4-5;/h1-4H,(H,7,8);/q;+1.
What are the key properties of sodium pyridine-3-sulfinic acid?
sodium pyridine-3-sulfinic acid has a molecular weight of 166.16 g/mol, XLogP of -2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyridine-3-sulfinic acid is sourced from PubChem (CID 19837922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).