potassium 2-hydroxy-3,5-diiodobenzoate

C7H3I2KO3 — CID 23716296

IUPACpotassium 2-hydroxy-3,5-diiodobenzoate
SMILESO=C([O-])c1cc(I)cc(I)c1O.[K+]
InChIInChI=1S/C7H4I2O3.K/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1
InChIKeySNHIVWOGVZUVLO-UHFFFAOYSA-M
MW428.00 g/mol
LogP-2.03
Rot. Bonds1

About potassium 2-hydroxy-3,5-diiodobenzoate

potassium 2-hydroxy-3,5-diiodobenzoate (PubChem CID 23716296) has the molecular formula C7H3I2KO3 and a molecular weight of 428.00 g/mol. Its IUPAC name is potassium 2-hydroxy-3,5-diiodobenzoate.

Molecular Properties

Compound Namepotassium 2-hydroxy-3,5-diiodobenzoate
PubChem CID23716296
Molecular FormulaC7H3I2KO3
Molecular Weight428.00 g/mol
Exact Mass427.78
IUPAC Namepotassium 2-hydroxy-3,5-diiodobenzoate
SMILESO=C([O-])c1cc(I)cc(I)c1O.[K+]
InChIInChI=1S/C7H4I2O3.K/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1
InChIKeySNHIVWOGVZUVLO-UHFFFAOYSA-M
XLogP-2.03
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 5-2.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
3,5-diiodo-2-methoxybenzoate
CID 21272597
copper 2,4,6-triiodophenol
CID 54602337
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
2-hydroxy-3,5-diiodobenzoic acid;2-hydroxy-5-iodobenzoic acid;zinc
CID 168801291
2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
CID 61233992
2-hydroxybenzoic acid;2-hydroxy-3,5-diiodobenzoic acid;zinc
CID 168801289
2-hydroxy-N-(4-hydroxycyclohexyl)-3,5-diiodobenzamide
CID 43388711
N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
2-fluoro-5-iodo-3-methylbenzoate
CID 53249655
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
4-(2-hydroxy-3,5-diiodobenzoyl)piperazine-2,6-dione
CID 66084175

Frequently Asked Questions

What is the IUPAC name of potassium 2-hydroxy-3,5-diiodobenzoate?
The IUPAC name of potassium 2-hydroxy-3,5-diiodobenzoate (CID 23716296) is potassium 2-hydroxy-3,5-diiodobenzoate.
What is the SMILES notation for potassium 2-hydroxy-3,5-diiodobenzoate?
The canonical SMILES for potassium 2-hydroxy-3,5-diiodobenzoate is O=C([O-])c1cc(I)cc(I)c1O.[K+].
What is the InChIKey of potassium 2-hydroxy-3,5-diiodobenzoate?
The InChIKey is SNHIVWOGVZUVLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4I2O3.K/c8-3-1-4(7(11)12)6(10)5(9)2-3;/h1-2,10H,(H,11,12);/q;+1/p-1.
What are the key properties of potassium 2-hydroxy-3,5-diiodobenzoate?
potassium 2-hydroxy-3,5-diiodobenzoate has a molecular weight of 428.00 g/mol, XLogP of -2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-hydroxy-3,5-diiodobenzoate is sourced from PubChem (CID 23716296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).