2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc

C14H9I3O6Zn — CID 168801291

IUPAC2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc
SMILESO=C(O)c1cc(I)cc(I)c1O.O=C(O)c1cc(I)ccc1O.[Zn]
InChIInChI=1S/C7H4I2O3.C7H5IO3.Zn/c8-3-1-4(7(11)12)6(10)5(9)2-3;8-4-1-2-6(9)5(3-4)7(10)11;/h1-2,10H,(H,11,12);1-3,9H,(H,10,11);
InChIKeyNDLQJQZZLHZTET-UHFFFAOYSA-N
MW719.32 g/mol
LogP3.99
Rot. Bonds2

About 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc

2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc (PubChem CID 168801291) has the molecular formula C14H9I3O6Zn and a molecular weight of 719.32 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc
PubChem CID168801291
Molecular FormulaC14H9I3O6Zn
Molecular Weight719.32 g/mol
Exact Mass717.68
IUPAC Name2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc
SMILESO=C(O)c1cc(I)cc(I)c1O.O=C(O)c1cc(I)ccc1O.[Zn]
InChIInChI=1S/C7H4I2O3.C7H5IO3.Zn/c8-3-1-4(7(11)12)6(10)5(9)2-3;8-4-1-2-6(9)5(3-4)7(10)11;/h1-2,10H,(H,11,12);1-3,9H,(H,10,11);
InChIKeyNDLQJQZZLHZTET-UHFFFAOYSA-N
XLogP3.99
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500719.32
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
CID 168801289
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
3,5-diiodo-2-iodylbenzoic acid
CID 23357814
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enoyl)benzamide;2-hydroxy-5-iodo-N-(2-methylprop-2-enoyl)benzamide;4-hydroxy-2-iodo-N-(2-methylprop-2-enoyl)benzamide
CID 158783156
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2-(dimethylamino)-5-iodobenzoic acid
CID 66696571
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
bis(2-carboxy-4,6-diiodophenolate);manganese(2+)
CID 54728317
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
2-hydroxy-3-iodo-5-methoxybenzoic acid
CID 100583382

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc?
The IUPAC name of 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc (CID 168801291) is 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc.
What is the SMILES notation for 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc?
The canonical SMILES for 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc is O=C(O)c1cc(I)cc(I)c1O.O=C(O)c1cc(I)ccc1O.[Zn].
What is the InChIKey of 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc?
The InChIKey is NDLQJQZZLHZTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3.C7H5IO3.Zn/c8-3-1-4(7(11)12)6(10)5(9)2-3;8-4-1-2-6(9)5(3-4)7(10)11;/h1-2,10H,(H,11,12);1-3,9H,(H,10,11);.
What are the key properties of 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc?
2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc has a molecular weight of 719.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc is sourced from PubChem (CID 168801291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).