2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid

C12H11NO5S — CID 23338688

IUPAC2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid
SMILESCc1cc(=O)n(-c2ccccc2)c(O)c1S(=O)(=O)O
InChIInChI=1S/C12H11NO5S/c1-8-7-10(14)13(9-5-3-2-4-6-9)12(15)11(8)19(16,17)18/h2-7,15H,1H3,(H,16,17,18)
InChIKeyXWZGMQNMYUCBAH-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.10
Rot. Bonds2

About 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid

2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid (PubChem CID 23338688) has the molecular formula C12H11NO5S and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid
PubChem CID23338688
Molecular FormulaC12H11NO5S
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid
SMILESCc1cc(=O)n(-c2ccccc2)c(O)c1S(=O)(=O)O
InChIInChI=1S/C12H11NO5S/c1-8-7-10(14)13(9-5-3-2-4-6-9)12(15)11(8)19(16,17)18/h2-7,15H,1H3,(H,16,17,18)
InChIKeyXWZGMQNMYUCBAH-UHFFFAOYSA-N
XLogP1.10
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-3,4-dimethyl-6-oxo-1-pyridinyl)benzenesulfonic acid
CID 23338646
4-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)benzenesulfonic acid
CID 88775238
4-hydroxy-1,5-dimethyl-3-phenylimidazol-2-one
CID 13382230
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2,4,6-trimethylbenzene-1,3-disulfonic acid
CID 14040846
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
CID 54691801
8-hydroxy-6-methylquinoline-5-sulfonic acid
CID 21435774
2,4,6-trimethyl-3-(2-phenoxyethyl)benzenesulfonic acid
CID 88647875
calcium;2,6-dimethylbenzenesulfonic acid;hydride
CID 174636725
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid (CID 23338688) is 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid is Cc1cc(=O)n(-c2ccccc2)c(O)c1S(=O)(=O)O.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid?
The InChIKey is XWZGMQNMYUCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S/c1-8-7-10(14)13(9-5-3-2-4-6-9)12(15)11(8)19(16,17)18/h2-7,15H,1H3,(H,16,17,18).
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid?
2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid has a molecular weight of 281.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid is sourced from PubChem (CID 23338688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).