2-(2-chloro-3-pyridinyl)ethenesulfonic acid

C7H6ClNO3S — CID 73446728

IUPAC2-(2-chloro-3-pyridinyl)ethenesulfonic acid
SMILESO=S(=O)(O)C=Cc1cccnc1Cl
InChIInChI=1S/C7H6ClNO3S/c8-7-6(2-1-4-9-7)3-5-13(10,11)12/h1-5H,(H,10,11,12)
InChIKeyGDYAOPFQBBAMMX-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-chloro-3-pyridinyl)ethenesulfonic acid

2-(2-chloro-3-pyridinyl)ethenesulfonic acid (PubChem CID 73446728) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)ethenesulfonic acid.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)ethenesulfonic acid
PubChem CID73446728
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name2-(2-chloro-3-pyridinyl)ethenesulfonic acid
SMILESO=S(=O)(O)C=Cc1cccnc1Cl
InChIInChI=1S/C7H6ClNO3S/c8-7-6(2-1-4-9-7)3-5-13(10,11)12/h1-5H,(H,10,11,12)
InChIKeyGDYAOPFQBBAMMX-UHFFFAOYSA-N
XLogP1.59
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-formylpyridine-2-sulfonic acid
CID 87563681
methyl (Z)-3-(2-chloro-3-pyridinyl)prop-2-enoate
CID 139622680
lithium;2-chloropyridine-3-sulfonic acid;hydride
CID 173107701
2-chloropyridine-3-sulfonic acid;N,N-dimethylformamide
CID 160516087
2-chloro-3-[2-(1-methylazetidin-3-yl)ethenyl]pyridine
CID 91204205
2-phenylethenesulfonic acid;pyridine
CID 173034936
(3-formyl-2-pyridinyl)boronic acid
CID 130822828
2-ethenylpyridine;2-phenylethenesulfonic acid
CID 88722678
2-[(2-chloro-3-pyridinyl)methylidene]-N,N'-diphenylpropanediamide
CID 87048269
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
2-[(2-chloro-3-pyridinyl)-sulfoamino]-2-methylpropanoic acid
CID 174719438
4-bromo-2-chlorobenzamide;(E)-2-(2-chlorophenyl)ethenesulfonic acid
CID 87701258

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)ethenesulfonic acid?
The IUPAC name of 2-(2-chloro-3-pyridinyl)ethenesulfonic acid (CID 73446728) is 2-(2-chloro-3-pyridinyl)ethenesulfonic acid.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)ethenesulfonic acid?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)ethenesulfonic acid is O=S(=O)(O)C=Cc1cccnc1Cl.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)ethenesulfonic acid?
The InChIKey is GDYAOPFQBBAMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-7-6(2-1-4-9-7)3-5-13(10,11)12/h1-5H,(H,10,11,12).
What are the key properties of 2-(2-chloro-3-pyridinyl)ethenesulfonic acid?
2-(2-chloro-3-pyridinyl)ethenesulfonic acid has a molecular weight of 219.65 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)ethenesulfonic acid is sourced from PubChem (CID 73446728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).