2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid

C11H9NO5S — CID 23334437

IUPAC2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid
SMILESO=c1cc(-c2ccccc2)c(S(=O)(=O)O)c(O)[nH]1
InChIInChI=1S/C11H9NO5S/c13-9-6-8(7-4-2-1-3-5-7)10(11(14)12-9)18(15,16)17/h1-6H,(H2,12,13,14)(H,15,16,17)
InChIKeyGVKCGBOHAGENDQ-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.99
Rot. Bonds2

About 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid

2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid (PubChem CID 23334437) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid
PubChem CID23334437
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid
SMILESO=c1cc(-c2ccccc2)c(S(=O)(=O)O)c(O)[nH]1
InChIInChI=1S/C11H9NO5S/c13-9-6-8(7-4-2-1-3-5-7)10(11(14)12-9)18(15,16)17/h1-6H,(H2,12,13,14)(H,15,16,17)
InChIKeyGVKCGBOHAGENDQ-UHFFFAOYSA-N
XLogP0.99
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid?
The IUPAC name of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid (CID 23334437) is 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid.
What is the SMILES notation for 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid?
The canonical SMILES for 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid is O=c1cc(-c2ccccc2)c(S(=O)(=O)O)c(O)[nH]1.
What is the InChIKey of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid?
The InChIKey is GVKCGBOHAGENDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S/c13-9-6-8(7-4-2-1-3-5-7)10(11(14)12-9)18(15,16)17/h1-6H,(H2,12,13,14)(H,15,16,17).
What are the key properties of 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid?
2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid has a molecular weight of 267.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-phenyl-1H-pyridine-3-sulfonic acid is sourced from PubChem (CID 23334437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).