bis(2-hydroxy-5-iodobenzoic acid);zinc

C14H10I2O6Zn — CID 168801294

IUPACbis(2-hydroxy-5-iodobenzoic acid);zinc
SMILESO=C(O)c1cc(I)ccc1O.O=C(O)c1cc(I)ccc1O.[Zn]
InChIInChI=1S/2C7H5IO3.Zn/c2*8-4-1-2-6(9)5(3-4)7(10)11;/h2*1-3,9H,(H,10,11);
InChIKeyBHOXEJAMWHPDPH-UHFFFAOYSA-N
MW593.43 g/mol
LogP3.39
Rot. Bonds2

About bis(2-hydroxy-5-iodobenzoic acid);zinc

bis(2-hydroxy-5-iodobenzoic acid);zinc (PubChem CID 168801294) has the molecular formula C14H10I2O6Zn and a molecular weight of 593.43 g/mol. Its IUPAC name is bis(2-hydroxy-5-iodobenzoic acid);zinc.

Molecular Properties

Compound Namebis(2-hydroxy-5-iodobenzoic acid);zinc
PubChem CID168801294
Molecular FormulaC14H10I2O6Zn
Molecular Weight593.43 g/mol
Exact Mass591.79
IUPAC Namebis(2-hydroxy-5-iodobenzoic acid);zinc
SMILESO=C(O)c1cc(I)ccc1O.O=C(O)c1cc(I)ccc1O.[Zn]
InChIInChI=1S/2C7H5IO3.Zn/c2*8-4-1-2-6(9)5(3-4)7(10)11;/h2*1-3,9H,(H,10,11);
InChIKeyBHOXEJAMWHPDPH-UHFFFAOYSA-N
XLogP3.39
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.43
LogP ≤ 53.39
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

2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc
CID 168801291
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
CID 168801289
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxybenzoic acid;methanol
CID 174970806
2-hydroxy-5-iodosulfanylbenzoic acid
CID 23342939
2-(dimethylamino)-5-iodobenzoic acid
CID 66696571
benzyl 2-hydroxy-5-iodobenzoate
CID 10760569
CID 172784976
CID 172784976
2-hydroxybenzoic acid;praseodymium
CID 87786006

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxy-5-iodobenzoic acid);zinc?
The IUPAC name of bis(2-hydroxy-5-iodobenzoic acid);zinc (CID 168801294) is bis(2-hydroxy-5-iodobenzoic acid);zinc.
What is the SMILES notation for bis(2-hydroxy-5-iodobenzoic acid);zinc?
The canonical SMILES for bis(2-hydroxy-5-iodobenzoic acid);zinc is O=C(O)c1cc(I)ccc1O.O=C(O)c1cc(I)ccc1O.[Zn].
What is the InChIKey of bis(2-hydroxy-5-iodobenzoic acid);zinc?
The InChIKey is BHOXEJAMWHPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5IO3.Zn/c2*8-4-1-2-6(9)5(3-4)7(10)11;/h2*1-3,9H,(H,10,11);.
What are the key properties of bis(2-hydroxy-5-iodobenzoic acid);zinc?
bis(2-hydroxy-5-iodobenzoic acid);zinc has a molecular weight of 593.43 g/mol, XLogP of 3.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxy-5-iodobenzoic acid);zinc is sourced from PubChem (CID 168801294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).