8-hydroxy-7-iodoquinoline-5-sulfonic acid

C9H6INO4S — CID 11043

IUPAC8-hydroxy-7-iodoquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cc(I)c(O)c2ncccc12
InChIInChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
InChIKeyZBJWWKFMHOAPNS-UHFFFAOYSA-N
MW351.12 g/mol
LogP1.79
Rot. Bonds1

About 8-hydroxy-7-iodoquinoline-5-sulfonic acid

8-hydroxy-7-iodoquinoline-5-sulfonic acid (PubChem CID 11043) has the molecular formula C9H6INO4S and a molecular weight of 351.12 g/mol. Its IUPAC name is 8-hydroxy-7-iodoquinoline-5-sulfonic acid.

Molecular Properties

Compound Name8-hydroxy-7-iodoquinoline-5-sulfonic acid
PubChem CID11043
Molecular FormulaC9H6INO4S
Molecular Weight351.12 g/mol
Exact Mass350.91
IUPAC Name8-hydroxy-7-iodoquinoline-5-sulfonic acid
SMILESO=S(=O)(O)c1cc(I)c(O)c2ncccc12
InChIInChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)
InChIKeyZBJWWKFMHOAPNS-UHFFFAOYSA-N
XLogP1.79
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-Hydroxyquinoline
CID 1923
5,7-Diiodo-8-hydroxyquinoline
CID 3728
8-Hydroxyquinoline-5-sulfonic acid
CID 6792
Actinoquinol
CID 23674
Nsc-87877
CID 92577
8-Hydroxy-5-quinolinesulfonic acid monohydrate
CID 2723649
5-Quinolinesulfonic acid, 8-hydroxy-7-(2-(1-naphthalenyl)diazenyl)-
CID 98565
Quinosol
CID 11507008
7-Fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
CID 122441965
7-Fluoro-5-cyclopentylsulfonyl-quinolin-8-ol
CID 122439995
7-Fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
7-Fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
CID 122442029

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-iodoquinoline-5-sulfonic acid?
The IUPAC name of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (CID 11043) is 8-hydroxy-7-iodoquinoline-5-sulfonic acid.
What is the SMILES notation for 8-hydroxy-7-iodoquinoline-5-sulfonic acid?
The canonical SMILES for 8-hydroxy-7-iodoquinoline-5-sulfonic acid is O=S(=O)(O)c1cc(I)c(O)c2ncccc12.
What is the InChIKey of 8-hydroxy-7-iodoquinoline-5-sulfonic acid?
The InChIKey is ZBJWWKFMHOAPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15).
What are the key properties of 8-hydroxy-7-iodoquinoline-5-sulfonic acid?
8-hydroxy-7-iodoquinoline-5-sulfonic acid has a molecular weight of 351.12 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-iodoquinoline-5-sulfonic acid is sourced from PubChem (CID 11043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).