3-iodo-2-iodosylbenzoic acid

C7H4I2O3 — CID 23357360

IUPAC3-iodo-2-iodosylbenzoic acid
SMILESO=Ic1c(I)cccc1C(=O)O
InChIInChI=1S/C7H4I2O3/c8-5-3-1-2-4(7(10)11)6(5)9-12/h1-3H,(H,10,11)
InChIKeyYKRNGNLOQANBTF-UHFFFAOYSA-N
MW389.91 g/mol
LogP2.48
Rot. Bonds2

About 3-iodo-2-iodosylbenzoic acid

3-iodo-2-iodosylbenzoic acid (PubChem CID 23357360) has the molecular formula C7H4I2O3 and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-iodo-2-iodosylbenzoic acid.

Molecular Properties

Compound Name3-iodo-2-iodosylbenzoic acid
PubChem CID23357360
Molecular FormulaC7H4I2O3
Molecular Weight389.91 g/mol
Exact Mass389.82
IUPAC Name3-iodo-2-iodosylbenzoic acid
SMILESO=Ic1c(I)cccc1C(=O)O
InChIInChI=1S/C7H4I2O3/c8-5-3-1-2-4(7(10)11)6(5)9-12/h1-3H,(H,10,11)
InChIKeyYKRNGNLOQANBTF-UHFFFAOYSA-N
XLogP2.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-iodosylterephthalic acid
CID 23357098
2-iodobenzene-1,3-dicarboxylic acid;dihydrochloride
CID 174964357
3-iodo-2-iodylbenzoic acid
CID 23356977
3-amino-2-iodobenzoic acid
CID 22266658
2-ethyl-3-iodobenzoic acid
CID 22121847
lithium;hydride;3-iodo-2-iodooxybenzoic acid
CID 173171906
5-iodoanthracene-1-carboxylic acid
CID 139609518
lithium;dihydrogen borate;2-fluorooxy-3-iodobenzoic acid
CID 158017376
3-iodo-2-trimethylsilyloxybenzoic acid
CID 167722923
lithium;boric acid;2-chlorooxy-3-iodobenzoic acid;hydride
CID 175209513
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-iodosylbenzoic acid?
The IUPAC name of 3-iodo-2-iodosylbenzoic acid (CID 23357360) is 3-iodo-2-iodosylbenzoic acid.
What is the SMILES notation for 3-iodo-2-iodosylbenzoic acid?
The canonical SMILES for 3-iodo-2-iodosylbenzoic acid is O=Ic1c(I)cccc1C(=O)O.
What is the InChIKey of 3-iodo-2-iodosylbenzoic acid?
The InChIKey is YKRNGNLOQANBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3/c8-5-3-1-2-4(7(10)11)6(5)9-12/h1-3H,(H,10,11).
What are the key properties of 3-iodo-2-iodosylbenzoic acid?
3-iodo-2-iodosylbenzoic acid has a molecular weight of 389.91 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-iodosylbenzoic acid is sourced from PubChem (CID 23357360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).