6-pyridin-2-ylpyridine-2-sulfonic acid

C10H8N2O3S — CID 15219955

IUPAC6-pyridin-2-ylpyridine-2-sulfonic acid
SMILESO=S(=O)(O)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C10H8N2O3S/c13-16(14,15)10-6-3-5-9(12-10)8-4-1-2-7-11-8/h1-7H,(H,13,14,15)
InChIKeyHCUFOXYPKRBSNB-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.39
Rot. Bonds2

About 6-pyridin-2-ylpyridine-2-sulfonic acid

6-pyridin-2-ylpyridine-2-sulfonic acid (PubChem CID 15219955) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 6-pyridin-2-ylpyridine-2-sulfonic acid.

Molecular Properties

Compound Name6-pyridin-2-ylpyridine-2-sulfonic acid
PubChem CID15219955
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name6-pyridin-2-ylpyridine-2-sulfonic acid
SMILESO=S(=O)(O)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C10H8N2O3S/c13-16(14,15)10-6-3-5-9(12-10)8-4-1-2-7-11-8/h1-7H,(H,13,14,15)
InChIKeyHCUFOXYPKRBSNB-UHFFFAOYSA-N
XLogP1.39
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-pyridin-2-yl-N-pyridin-2-ylsulfonylpyridine-2-sulfonamide
CID 118860117
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-ylpyridine-2-sulfonic acid?
The IUPAC name of 6-pyridin-2-ylpyridine-2-sulfonic acid (CID 15219955) is 6-pyridin-2-ylpyridine-2-sulfonic acid.
What is the SMILES notation for 6-pyridin-2-ylpyridine-2-sulfonic acid?
The canonical SMILES for 6-pyridin-2-ylpyridine-2-sulfonic acid is O=S(=O)(O)c1cccc(-c2ccccn2)n1.
What is the InChIKey of 6-pyridin-2-ylpyridine-2-sulfonic acid?
The InChIKey is HCUFOXYPKRBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-16(14,15)10-6-3-5-9(12-10)8-4-1-2-7-11-8/h1-7H,(H,13,14,15).
What are the key properties of 6-pyridin-2-ylpyridine-2-sulfonic acid?
6-pyridin-2-ylpyridine-2-sulfonic acid has a molecular weight of 236.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-ylpyridine-2-sulfonic acid is sourced from PubChem (CID 15219955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).