pyridine-2,3,4,5-tetrasulfonic acid

C5H5NO12S4 — CID 19377942

IUPACpyridine-2,3,4,5-tetrasulfonic acid
SMILESO=S(=O)(O)c1cnc(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C5H5NO12S4/c7-19(8,9)2-1-6-5(22(16,17)18)4(21(13,14)15)3(2)20(10,11)12/h1H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)
InChIKeyBOQGIRLLTPLQKB-UHFFFAOYSA-N
MW399.36 g/mol
LogP-1.93
Rot. Bonds4

About pyridine-2,3,4,5-tetrasulfonic acid

pyridine-2,3,4,5-tetrasulfonic acid (PubChem CID 19377942) has the molecular formula C5H5NO12S4 and a molecular weight of 399.36 g/mol. Its IUPAC name is pyridine-2,3,4,5-tetrasulfonic acid.

Molecular Properties

Compound Namepyridine-2,3,4,5-tetrasulfonic acid
PubChem CID19377942
Molecular FormulaC5H5NO12S4
Molecular Weight399.36 g/mol
Exact Mass398.87
IUPAC Namepyridine-2,3,4,5-tetrasulfonic acid
SMILESO=S(=O)(O)c1cnc(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C5H5NO12S4/c7-19(8,9)2-1-6-5(22(16,17)18)4(21(13,14)15)3(2)20(10,11)12/h1H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)
InChIKeyBOQGIRLLTPLQKB-UHFFFAOYSA-N
XLogP-1.93
TPSA230.37 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyridine-2,3,4,5-tetrasulfonic acid?
The IUPAC name of pyridine-2,3,4,5-tetrasulfonic acid (CID 19377942) is pyridine-2,3,4,5-tetrasulfonic acid.
What is the SMILES notation for pyridine-2,3,4,5-tetrasulfonic acid?
The canonical SMILES for pyridine-2,3,4,5-tetrasulfonic acid is O=S(=O)(O)c1cnc(S(=O)(=O)O)c(S(=O)(=O)O)c1S(=O)(=O)O.
What is the InChIKey of pyridine-2,3,4,5-tetrasulfonic acid?
The InChIKey is BOQGIRLLTPLQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO12S4/c7-19(8,9)2-1-6-5(22(16,17)18)4(21(13,14)15)3(2)20(10,11)12/h1H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18).
What are the key properties of pyridine-2,3,4,5-tetrasulfonic acid?
pyridine-2,3,4,5-tetrasulfonic acid has a molecular weight of 399.36 g/mol, XLogP of -1.93, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,3,4,5-tetrasulfonic acid is sourced from PubChem (CID 19377942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).