2-hydroxy-3,5-diiodobenzoic acid

C7H4I2O3 — CID 8631

IUPAC2-hydroxy-3,5-diiodobenzoic acid
SMILESO=C(O)c1cc(I)cc(I)c1O
InChIInChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKeyDHZVWQPHNWDCFS-UHFFFAOYSA-N
MW389.91 g/mol
LogP2.30
Rot. Bonds1

About 2-hydroxy-3,5-diiodobenzoic acid

2-hydroxy-3,5-diiodobenzoic acid (PubChem CID 8631) has the molecular formula C7H4I2O3 and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodobenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodobenzoic acid
PubChem CID8631
Molecular FormulaC7H4I2O3
Molecular Weight389.91 g/mol
Exact Mass389.82
IUPAC Name2-hydroxy-3,5-diiodobenzoic acid
SMILESO=C(O)c1cc(I)cc(I)c1O
InChIInChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKeyDHZVWQPHNWDCFS-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-diiodobenzoic acid?
The IUPAC name of 2-hydroxy-3,5-diiodobenzoic acid (CID 8631) is 2-hydroxy-3,5-diiodobenzoic acid.
What is the SMILES notation for 2-hydroxy-3,5-diiodobenzoic acid?
The canonical SMILES for 2-hydroxy-3,5-diiodobenzoic acid is O=C(O)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-3,5-diiodobenzoic acid?
The InChIKey is DHZVWQPHNWDCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12).
What are the key properties of 2-hydroxy-3,5-diiodobenzoic acid?
2-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 2-hydroxy-3,5-diiodobenzoic acid is sourced from PubChem (CID 8631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).