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

C14H10I2O6Zn — CID 168801289

IUPAC2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
SMILESO=C(O)c1cc(I)cc(I)c1O.O=C(O)c1ccccc1O.[Zn]
InChIInChI=1S/C7H4I2O3.C7H6O3.Zn/c8-3-1-4(7(11)12)6(10)5(9)2-3;8-6-4-2-1-3-5(6)7(9)10;/h1-2,10H,(H,11,12);1-4,8H,(H,9,10);
InChIKeyRTDMEVYSQAVDQL-UHFFFAOYSA-N
MW593.43 g/mol
LogP3.39
Rot. Bonds2

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

2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc (PubChem CID 168801289) has the molecular formula C14H10I2O6Zn and a molecular weight of 593.43 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc.

Molecular Properties

Compound Name2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
PubChem CID168801289
Molecular FormulaC14H10I2O6Zn
Molecular Weight593.43 g/mol
Exact Mass591.79
IUPAC Name2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
SMILESO=C(O)c1cc(I)cc(I)c1O.O=C(O)c1ccccc1O.[Zn]
InChIInChI=1S/C7H4I2O3.C7H6O3.Zn/c8-3-1-4(7(11)12)6(10)5(9)2-3;8-6-4-2-1-3-5(6)7(9)10;/h1-2,10H,(H,11,12);1-4,8H,(H,9,10);
InChIKeyRTDMEVYSQAVDQL-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'}

Analyze 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc
CID 168801291
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
boric acid;bis(2-hydroxybenzoic acid);zinc
CID 5360530
sodium;hydrogen carbonate;2-hydroxybenzoic acid
CID 70482826

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc?
The IUPAC name of 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc (CID 168801289) is 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc.
What is the SMILES notation for 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc?
The canonical SMILES for 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc is O=C(O)c1cc(I)cc(I)c1O.O=C(O)c1ccccc1O.[Zn].
What is the InChIKey of 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc?
The InChIKey is RTDMEVYSQAVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3.C7H6O3.Zn/c8-3-1-4(7(11)12)6(10)5(9)2-3;8-6-4-2-1-3-5(6)7(9)10;/h1-2,10H,(H,11,12);1-4,8H,(H,9,10);.
What are the key properties of 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc?
2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic 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 2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc is sourced from PubChem (CID 168801289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).