hydroxy-oxo-sulfooxyphosphanium;pyridine

C5H7NO6PS+ — CID 174865517

IUPAChydroxy-oxo-sulfooxyphosphanium;pyridine
SMILESO=[P+](O)OS(=O)(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.HO6PS/c1-2-4-6-5-3-1;1-7(2)6-8(3,4)5/h1-5H;(H-,1,2,3,4,5)/p+1
InChIKeyVQHKGQVZYDTSMP-UHFFFAOYSA-O
MW240.15 g/mol
LogP0.54
Rot. Bonds2

About hydroxy-oxo-sulfooxyphosphanium;pyridine

hydroxy-oxo-sulfooxyphosphanium;pyridine (PubChem CID 174865517) has the molecular formula C5H7NO6PS+ and a molecular weight of 240.15 g/mol. Its IUPAC name is hydroxy-oxo-sulfooxyphosphanium;pyridine.

Molecular Properties

Compound Namehydroxy-oxo-sulfooxyphosphanium;pyridine
PubChem CID174865517
Molecular FormulaC5H7NO6PS+
Molecular Weight240.15 g/mol
Exact Mass239.97
IUPAC Namehydroxy-oxo-sulfooxyphosphanium;pyridine
SMILESO=[P+](O)OS(=O)(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.HO6PS/c1-2-4-6-5-3-1;1-7(2)6-8(3,4)5/h1-5H;(H-,1,2,3,4,5)/p+1
InChIKeyVQHKGQVZYDTSMP-UHFFFAOYSA-O
XLogP0.54
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-sulfooxyphosphanium;pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(pyridine);sulfuric acid
CID 57357654
pyridine;sulfuric acid;dihydrobromide
CID 66601597
CID 174625077
CID 174625077
methyl hydrogen sulfate;bis(pyridine);hydroiodide
CID 174832701
1H-pyrazole;pyridine;sulfuric acid
CID 174918385
lithium;pyridine;bromide
CID 67444897
1,5-diazecine
CID 53440348
pyridine
CID 160878650
pyridine
CID 67755510
bis(pyridine);2,2,2-trifluoroacetic acid;trifluoromethanesulfonic acid
CID 171925074
copper;magnesium;pyridine;disulfate
CID 174588084
methyl hydrogen sulfate;pyrimidine
CID 173117668

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-sulfooxyphosphanium;pyridine?
The IUPAC name of hydroxy-oxo-sulfooxyphosphanium;pyridine (CID 174865517) is hydroxy-oxo-sulfooxyphosphanium;pyridine.
What is the SMILES notation for hydroxy-oxo-sulfooxyphosphanium;pyridine?
The canonical SMILES for hydroxy-oxo-sulfooxyphosphanium;pyridine is O=[P+](O)OS(=O)(=O)O.c1ccncc1.
What is the InChIKey of hydroxy-oxo-sulfooxyphosphanium;pyridine?
The InChIKey is VQHKGQVZYDTSMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N.HO6PS/c1-2-4-6-5-3-1;1-7(2)6-8(3,4)5/h1-5H;(H-,1,2,3,4,5)/p+1.
What are the key properties of hydroxy-oxo-sulfooxyphosphanium;pyridine?
hydroxy-oxo-sulfooxyphosphanium;pyridine has a molecular weight of 240.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-sulfooxyphosphanium;pyridine is sourced from PubChem (CID 174865517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).