5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid

C11H7IO4 — CID 23357093

IUPAC5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
SMILESO=Ic1cc2c(O)cccc2cc1C(=O)O
InChIInChI=1S/C11H7IO4/c13-10-3-1-2-6-4-8(11(14)15)9(12-16)5-7(6)10/h1-5,13H,(H,14,15)
InChIKeyCQOOSTYBXDBGQQ-UHFFFAOYSA-N
MW330.08 g/mol
LogP2.73
Rot. Bonds2

About 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid

5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid (PubChem CID 23357093) has the molecular formula C11H7IO4 and a molecular weight of 330.08 g/mol. Its IUPAC name is 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
PubChem CID23357093
Molecular FormulaC11H7IO4
Molecular Weight330.08 g/mol
Exact Mass329.94
IUPAC Name5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
SMILESO=Ic1cc2c(O)cccc2cc1C(=O)O
InChIInChI=1S/C11H7IO4/c13-10-3-1-2-6-4-8(11(14)15)9(12-16)5-7(6)10/h1-5,13H,(H,14,15)
InChIKeyCQOOSTYBXDBGQQ-UHFFFAOYSA-N
XLogP2.73
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.08
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid (CID 23357093) is 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid is O=Ic1cc2c(O)cccc2cc1C(=O)O.
What is the InChIKey of 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid?
The InChIKey is CQOOSTYBXDBGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO4/c13-10-3-1-2-6-4-8(11(14)15)9(12-16)5-7(6)10/h1-5,13H,(H,14,15).
What are the key properties of 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid?
5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid has a molecular weight of 330.08 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 23357093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).