4-hydroxy-3,5-diiodobenzoic acid

C7H4I2O3 — CID 12065

IUPAC4-hydroxy-3,5-diiodobenzoic acid
SMILESO=C(O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyXREKTVACBXQCSB-UHFFFAOYSA-N
MW389.91 g/mol
LogP2.30
Rot. Bonds1

About 4-hydroxy-3,5-diiodobenzoic acid

4-hydroxy-3,5-diiodobenzoic acid (PubChem CID 12065) has the molecular formula C7H4I2O3 and a molecular weight of 389.91 g/mol. Its IUPAC name is 4-hydroxy-3,5-diiodobenzoic acid.

Molecular Properties

Compound Name4-hydroxy-3,5-diiodobenzoic acid
PubChem CID12065
Molecular FormulaC7H4I2O3
Molecular Weight389.91 g/mol
Exact Mass389.82
IUPAC Name4-hydroxy-3,5-diiodobenzoic acid
SMILESO=C(O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKeyXREKTVACBXQCSB-UHFFFAOYSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid
CID 123218137
2-(4-hydroxy-3,5-diiodophenyl)-2-oxoacetic acid
CID 25136340
3-iodo-4,5-dimethylbenzoic acid
CID 81431069
4-[(4-hydroxy-3,5-diiodobenzoyl)amino]benzoic acid
CID 3027490
4-fluoro-3-hydroxy-5-iodobenzoic acid
CID 118684762
3,4,5-trihydroxybenzoic acid
CID 370
4-ethoxy-3,5-diiodobenzoic acid
CID 91972425
3,4-difluoro-5-iodobenzoic acid
CID 130053511
3-fluoro-4,5-diiodobenzoic acid
CID 130839523
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
CID 173368262
CID 173368262
silver;3,4,5-trihydroxybenzoic acid
CID 87285421

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diiodobenzoic acid?
The IUPAC name of 4-hydroxy-3,5-diiodobenzoic acid (CID 12065) is 4-hydroxy-3,5-diiodobenzoic acid.
What is the SMILES notation for 4-hydroxy-3,5-diiodobenzoic acid?
The canonical SMILES for 4-hydroxy-3,5-diiodobenzoic acid is O=C(O)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-hydroxy-3,5-diiodobenzoic acid?
The InChIKey is XREKTVACBXQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12).
What are the key properties of 4-hydroxy-3,5-diiodobenzoic acid?
4-hydroxy-3,5-diiodobenzoic acid has a molecular weight of 389.91 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diiodobenzoic acid is sourced from PubChem (CID 12065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).