pyridin-1-ium;sulfuric acid;chloride

C5H8ClNO4S — CID 174872617

IUPACpyridin-1-ium;sulfuric acid;chloride
SMILESO=S(=O)(O)O.[Cl-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.ClH.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h1-5H;1H;(H2,1,2,3,4)
InChIKeySVKFNWPEZNYDHW-UHFFFAOYSA-N
MW213.64 g/mol
LogP-3.15
Rot. Bonds

About pyridin-1-ium;sulfuric acid;chloride

pyridin-1-ium;sulfuric acid;chloride (PubChem CID 174872617) has the molecular formula C5H8ClNO4S and a molecular weight of 213.64 g/mol. Its IUPAC name is pyridin-1-ium;sulfuric acid;chloride.

Molecular Properties

Compound Namepyridin-1-ium;sulfuric acid;chloride
PubChem CID174872617
Molecular FormulaC5H8ClNO4S
Molecular Weight213.64 g/mol
Exact Mass212.99
IUPAC Namepyridin-1-ium;sulfuric acid;chloride
SMILESO=S(=O)(O)O.[Cl-].c1cc[nH+]cc1
InChIInChI=1S/C5H5N.ClH.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h1-5H;1H;(H2,1,2,3,4)
InChIKeySVKFNWPEZNYDHW-UHFFFAOYSA-N
XLogP-3.15
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 5-3.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 pyridin-1-ium;sulfuric acid;chloride?
The IUPAC name of pyridin-1-ium;sulfuric acid;chloride (CID 174872617) is pyridin-1-ium;sulfuric acid;chloride.
What is the SMILES notation for pyridin-1-ium;sulfuric acid;chloride?
The canonical SMILES for pyridin-1-ium;sulfuric acid;chloride is O=S(=O)(O)O.[Cl-].c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium;sulfuric acid;chloride?
The InChIKey is SVKFNWPEZNYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.ClH.H2O4S/c1-2-4-6-5-3-1;;1-5(2,3)4/h1-5H;1H;(H2,1,2,3,4).
What are the key properties of pyridin-1-ium;sulfuric acid;chloride?
pyridin-1-ium;sulfuric acid;chloride has a molecular weight of 213.64 g/mol, XLogP of -3.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium;sulfuric acid;chloride is sourced from PubChem (CID 174872617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).