2-iodo-3-iodosylterephthalic acid

C8H4I2O5 — CID 23357098

IUPAC2-iodo-3-iodosylterephthalic acid
SMILESO=Ic1c(C(=O)O)ccc(C(=O)O)c1I
InChIInChI=1S/C8H4I2O5/c9-5-3(7(11)12)1-2-4(8(13)14)6(5)10-15/h1-2H,(H,11,12)(H,13,14)
InChIKeyIOXLQGWEGLRJGX-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.17
Rot. Bonds3

About 2-iodo-3-iodosylterephthalic acid

2-iodo-3-iodosylterephthalic acid (PubChem CID 23357098) has the molecular formula C8H4I2O5 and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-iodo-3-iodosylterephthalic acid.

Molecular Properties

Compound Name2-iodo-3-iodosylterephthalic acid
PubChem CID23357098
Molecular FormulaC8H4I2O5
Molecular Weight433.92 g/mol
Exact Mass433.81
IUPAC Name2-iodo-3-iodosylterephthalic acid
SMILESO=Ic1c(C(=O)O)ccc(C(=O)O)c1I
InChIInChI=1S/C8H4I2O5/c9-5-3(7(11)12)1-2-4(8(13)14)6(5)10-15/h1-2H,(H,11,12)(H,13,14)
InChIKeyIOXLQGWEGLRJGX-UHFFFAOYSA-N
XLogP2.17
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzoic Acid
CID 243
Phthalic Acid
CID 1017
Terephthalic Acid
CID 7489
Isophthalic Acid
CID 8496
P-Toluic Acid
CID 7470
4-tert-Butylbenzoic acid
CID 7403
4-Isopropylbenzoic Acid
CID 10820
p-(Chloromercuri)benzoic acid
CID 1730
2,3,5-Triiodobenzoic acid
CID 6948
4-Iodobenzoic acid
CID 12085
3-Methylbenzoic acid
CID 7418
4-Formylbenzoic acid
CID 12088

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-iodosylterephthalic acid?
The IUPAC name of 2-iodo-3-iodosylterephthalic acid (CID 23357098) is 2-iodo-3-iodosylterephthalic acid.
What is the SMILES notation for 2-iodo-3-iodosylterephthalic acid?
The canonical SMILES for 2-iodo-3-iodosylterephthalic acid is O=Ic1c(C(=O)O)ccc(C(=O)O)c1I.
What is the InChIKey of 2-iodo-3-iodosylterephthalic acid?
The InChIKey is IOXLQGWEGLRJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2O5/c9-5-3(7(11)12)1-2-4(8(13)14)6(5)10-15/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 2-iodo-3-iodosylterephthalic acid?
2-iodo-3-iodosylterephthalic acid has a molecular weight of 433.92 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-iodosylterephthalic acid is sourced from PubChem (CID 23357098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).