2-ethenyl-1H-pyridine-2-sulfonic acid

C7H9NO3S — CID 87865868

IUPAC2-ethenyl-1H-pyridine-2-sulfonic acid
SMILESC=CC1(S(=O)(=O)O)C=CC=CN1
InChIInChI=1S/C7H9NO3S/c1-2-7(12(9,10)11)5-3-4-6-8-7/h2-6,8H,1H2,(H,9,10,11)
InChIKeyRNHCUJYTDDWOBT-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.43
Rot. Bonds2

About 2-ethenyl-1H-pyridine-2-sulfonic acid

2-ethenyl-1H-pyridine-2-sulfonic acid (PubChem CID 87865868) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-ethenyl-1H-pyridine-2-sulfonic acid.

Molecular Properties

Compound Name2-ethenyl-1H-pyridine-2-sulfonic acid
PubChem CID87865868
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-ethenyl-1H-pyridine-2-sulfonic acid
SMILESC=CC1(S(=O)(=O)O)C=CC=CN1
InChIInChI=1S/C7H9NO3S/c1-2-7(12(9,10)11)5-3-4-6-8-7/h2-6,8H,1H2,(H,9,10,11)
InChIKeyRNHCUJYTDDWOBT-UHFFFAOYSA-N
XLogP0.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-pyridine-2-sulfonic acid?
The IUPAC name of 2-ethenyl-1H-pyridine-2-sulfonic acid (CID 87865868) is 2-ethenyl-1H-pyridine-2-sulfonic acid.
What is the SMILES notation for 2-ethenyl-1H-pyridine-2-sulfonic acid?
The canonical SMILES for 2-ethenyl-1H-pyridine-2-sulfonic acid is C=CC1(S(=O)(=O)O)C=CC=CN1.
What is the InChIKey of 2-ethenyl-1H-pyridine-2-sulfonic acid?
The InChIKey is RNHCUJYTDDWOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-2-7(12(9,10)11)5-3-4-6-8-7/h2-6,8H,1H2,(H,9,10,11).
What are the key properties of 2-ethenyl-1H-pyridine-2-sulfonic acid?
2-ethenyl-1H-pyridine-2-sulfonic acid has a molecular weight of 187.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-pyridine-2-sulfonic acid is sourced from PubChem (CID 87865868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).