2-ethenylpyridine;2-phenylethenesulfonic acid

C15H15NO3S — CID 88722678

IUPAC2-ethenylpyridine;2-phenylethenesulfonic acid
SMILESC=Cc1ccccn1.O=S(=O)(O)C=Cc1ccccc1
InChIInChI=1S/C8H8O3S.C7H7N/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-7-5-3-4-6-8-7/h1-7H,(H,9,10,11);2-6H,1H2
InChIKeyFEEBHTVOFPORAF-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.27
Rot. Bonds3

About 2-ethenylpyridine;2-phenylethenesulfonic acid

2-ethenylpyridine;2-phenylethenesulfonic acid (PubChem CID 88722678) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-ethenylpyridine;2-phenylethenesulfonic acid.

Molecular Properties

Compound Name2-ethenylpyridine;2-phenylethenesulfonic acid
PubChem CID88722678
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-ethenylpyridine;2-phenylethenesulfonic acid
SMILESC=Cc1ccccn1.O=S(=O)(O)C=Cc1ccccc1
InChIInChI=1S/C8H8O3S.C7H7N/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-7-5-3-4-6-8-7/h1-7H,(H,9,10,11);2-6H,1H2
InChIKeyFEEBHTVOFPORAF-UHFFFAOYSA-N
XLogP3.27
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenesulfonic acid;pyridine
CID 173034936
CID 161089433
CID 161089433
sodium;1,4-bis(ethenyl)benzene;hydride;2-phenylethenesulfonic acid
CID 174291197
(E)-2-phenylethenesulfonic acid;prop-2-enoic acid
CID 87308391
2-ethenylpyridine;methyl hydrogen sulfate
CID 159532626
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
CID 159387083
CID 159387083
2-ethenylpyridine;prop-2-ene-1-sulfonic acid
CID 174475379
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hexahydroiodide
CID 70487032
2-ethenylpyridine;hydrate
CID 67843107
potassium;ethenesulfonic acid;2-phenylethenesulfonate
CID 172779366

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyridine;2-phenylethenesulfonic acid?
The IUPAC name of 2-ethenylpyridine;2-phenylethenesulfonic acid (CID 88722678) is 2-ethenylpyridine;2-phenylethenesulfonic acid.
What is the SMILES notation for 2-ethenylpyridine;2-phenylethenesulfonic acid?
The canonical SMILES for 2-ethenylpyridine;2-phenylethenesulfonic acid is C=Cc1ccccn1.O=S(=O)(O)C=Cc1ccccc1.
What is the InChIKey of 2-ethenylpyridine;2-phenylethenesulfonic acid?
The InChIKey is FEEBHTVOFPORAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.C7H7N/c9-12(10,11)7-6-8-4-2-1-3-5-8;1-2-7-5-3-4-6-8-7/h1-7H,(H,9,10,11);2-6H,1H2.
What are the key properties of 2-ethenylpyridine;2-phenylethenesulfonic acid?
2-ethenylpyridine;2-phenylethenesulfonic acid has a molecular weight of 289.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyridine;2-phenylethenesulfonic acid is sourced from PubChem (CID 88722678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).