pyridine-3,5-disulfonic acid

C5H5NO6S2 — CID 2762897

IUPACpyridine-3,5-disulfonic acid
SMILESO=S(=O)(O)c1cncc(S(=O)(=O)O)c1
InChIInChI=1S/C5H5NO6S2/c7-13(8,9)4-1-5(3-6-2-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12)
InChIKeyQRYROSZXZPINDI-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.43
Rot. Bonds2

About pyridine-3,5-disulfonic acid

pyridine-3,5-disulfonic acid (PubChem CID 2762897) has the molecular formula C5H5NO6S2 and a molecular weight of 239.23 g/mol. Its IUPAC name is pyridine-3,5-disulfonic acid.

Molecular Properties

Compound Namepyridine-3,5-disulfonic acid
PubChem CID2762897
Molecular FormulaC5H5NO6S2
Molecular Weight239.23 g/mol
Exact Mass238.96
IUPAC Namepyridine-3,5-disulfonic acid
SMILESO=S(=O)(O)c1cncc(S(=O)(=O)O)c1
InChIInChI=1S/C5H5NO6S2/c7-13(8,9)4-1-5(3-6-2-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12)
InChIKeyQRYROSZXZPINDI-UHFFFAOYSA-N
XLogP-0.43
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3,5-disulfonic acid?
The IUPAC name of pyridine-3,5-disulfonic acid (CID 2762897) is pyridine-3,5-disulfonic acid.
What is the SMILES notation for pyridine-3,5-disulfonic acid?
The canonical SMILES for pyridine-3,5-disulfonic acid is O=S(=O)(O)c1cncc(S(=O)(=O)O)c1.
What is the InChIKey of pyridine-3,5-disulfonic acid?
The InChIKey is QRYROSZXZPINDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO6S2/c7-13(8,9)4-1-5(3-6-2-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12).
What are the key properties of pyridine-3,5-disulfonic acid?
pyridine-3,5-disulfonic acid has a molecular weight of 239.23 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3,5-disulfonic acid is sourced from PubChem (CID 2762897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).