5-carboxy-2-iodophenolate

C7H4IO3- — CID 54694279

IUPAC5-carboxy-2-iodophenolate
SMILESO=C(O)c1ccc(I)c([O-])c1
InChIInChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)/p-1
InChIKeyUABBBWVTEWIIMN-UHFFFAOYSA-M
MW263.01 g/mol
LogP1.06
Rot. Bonds1

About 5-carboxy-2-iodophenolate

5-carboxy-2-iodophenolate (PubChem CID 54694279) has the molecular formula C7H4IO3- and a molecular weight of 263.01 g/mol. Its IUPAC name is 5-carboxy-2-iodophenolate.

Molecular Properties

Compound Name5-carboxy-2-iodophenolate
PubChem CID54694279
Molecular FormulaC7H4IO3-
Molecular Weight263.01 g/mol
Exact Mass262.92
IUPAC Name5-carboxy-2-iodophenolate
SMILESO=C(O)c1ccc(I)c([O-])c1
InChIInChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)/p-1
InChIKeyUABBBWVTEWIIMN-UHFFFAOYSA-M
XLogP1.06
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.01
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-carboxy-2-iodophenolate?
The IUPAC name of 5-carboxy-2-iodophenolate (CID 54694279) is 5-carboxy-2-iodophenolate.
What is the SMILES notation for 5-carboxy-2-iodophenolate?
The canonical SMILES for 5-carboxy-2-iodophenolate is O=C(O)c1ccc(I)c([O-])c1.
What is the InChIKey of 5-carboxy-2-iodophenolate?
The InChIKey is UABBBWVTEWIIMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)/p-1.
What are the key properties of 5-carboxy-2-iodophenolate?
5-carboxy-2-iodophenolate has a molecular weight of 263.01 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxy-2-iodophenolate is sourced from PubChem (CID 54694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).