pyridine-4-sulfinate

C5H4NO2S- — CID 6411641

IUPACpyridine-4-sulfinate
SMILESO=S([O-])c1ccncc1
InChIInChI=1S/C5H5NO2S/c7-9(8)5-1-3-6-4-2-5/h1-4H,(H,7,8)/p-1
InChIKeyTZHUQQDCJYTNDZ-UHFFFAOYSA-M
MW142.16 g/mol
LogP0.32
Rot. Bonds1

About pyridine-4-sulfinate

pyridine-4-sulfinate (PubChem CID 6411641) has the molecular formula C5H4NO2S- and a molecular weight of 142.16 g/mol. Its IUPAC name is pyridine-4-sulfinate.

Molecular Properties

Compound Namepyridine-4-sulfinate
PubChem CID6411641
Molecular FormulaC5H4NO2S-
Molecular Weight142.16 g/mol
Exact Mass142.00
IUPAC Namepyridine-4-sulfinate
SMILESO=S([O-])c1ccncc1
InChIInChI=1S/C5H5NO2S/c7-9(8)5-1-3-6-4-2-5/h1-4H,(H,7,8)/p-1
InChIKeyTZHUQQDCJYTNDZ-UHFFFAOYSA-M
XLogP0.32
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.32
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 pyridine-4-sulfinate?
The IUPAC name of pyridine-4-sulfinate (CID 6411641) is pyridine-4-sulfinate.
What is the SMILES notation for pyridine-4-sulfinate?
The canonical SMILES for pyridine-4-sulfinate is O=S([O-])c1ccncc1.
What is the InChIKey of pyridine-4-sulfinate?
The InChIKey is TZHUQQDCJYTNDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2S/c7-9(8)5-1-3-6-4-2-5/h1-4H,(H,7,8)/p-1.
What are the key properties of pyridine-4-sulfinate?
pyridine-4-sulfinate has a molecular weight of 142.16 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-sulfinate is sourced from PubChem (CID 6411641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).