potassium 2-iodo-3,4,5-triiodooxybenzoate

C7HI4KO5 — CID 88651490

IUPACpotassium 2-iodo-3,4,5-triiodooxybenzoate
SMILESO=C([O-])c1cc(OI)c(OI)c(OI)c1I.[K+]
InChIInChI=1S/C7H2I4O5.K/c8-4-2(7(12)13)1-3(14-9)5(15-10)6(4)16-11;/h1H,(H,12,13);/q;+1/p-1
InChIKeyQXTQNROSUAXMEM-UHFFFAOYSA-M
MW711.79 g/mol
LogP-0.15
Rot. Bonds4

About potassium 2-iodo-3,4,5-triiodooxybenzoate

potassium 2-iodo-3,4,5-triiodooxybenzoate (PubChem CID 88651490) has the molecular formula C7HI4KO5 and a molecular weight of 711.79 g/mol. Its IUPAC name is potassium 2-iodo-3,4,5-triiodooxybenzoate.

Molecular Properties

Compound Namepotassium 2-iodo-3,4,5-triiodooxybenzoate
PubChem CID88651490
Molecular FormulaC7HI4KO5
Molecular Weight711.79 g/mol
Exact Mass711.56
IUPAC Namepotassium 2-iodo-3,4,5-triiodooxybenzoate
SMILESO=C([O-])c1cc(OI)c(OI)c(OI)c1I.[K+]
InChIInChI=1S/C7H2I4O5.K/c8-4-2(7(12)13)1-3(14-9)5(15-10)6(4)16-11;/h1H,(H,12,13);/q;+1/p-1
InChIKeyQXTQNROSUAXMEM-UHFFFAOYSA-M
XLogP-0.15
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.79
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-iodo-3,4,5-triiodooxybenzoate?
The IUPAC name of potassium 2-iodo-3,4,5-triiodooxybenzoate (CID 88651490) is potassium 2-iodo-3,4,5-triiodooxybenzoate.
What is the SMILES notation for potassium 2-iodo-3,4,5-triiodooxybenzoate?
The canonical SMILES for potassium 2-iodo-3,4,5-triiodooxybenzoate is O=C([O-])c1cc(OI)c(OI)c(OI)c1I.[K+].
What is the InChIKey of potassium 2-iodo-3,4,5-triiodooxybenzoate?
The InChIKey is QXTQNROSUAXMEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H2I4O5.K/c8-4-2(7(12)13)1-3(14-9)5(15-10)6(4)16-11;/h1H,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-iodo-3,4,5-triiodooxybenzoate?
potassium 2-iodo-3,4,5-triiodooxybenzoate has a molecular weight of 711.79 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-iodo-3,4,5-triiodooxybenzoate is sourced from PubChem (CID 88651490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).