5-hydroxy-2-iodosylbenzoic acid

C7H5IO4 — CID 23357998

IUPAC5-hydroxy-2-iodosylbenzoic acid
SMILESO=Ic1ccc(O)cc1C(=O)O
InChIInChI=1S/C7H5IO4/c9-4-1-2-6(8-12)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeyZFAOJECXVIUGRF-UHFFFAOYSA-N
MW280.02 g/mol
LogP1.58
Rot. Bonds2

About 5-hydroxy-2-iodosylbenzoic acid

5-hydroxy-2-iodosylbenzoic acid (PubChem CID 23357998) has the molecular formula C7H5IO4 and a molecular weight of 280.02 g/mol. Its IUPAC name is 5-hydroxy-2-iodosylbenzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-iodosylbenzoic acid
PubChem CID23357998
Molecular FormulaC7H5IO4
Molecular Weight280.02 g/mol
Exact Mass279.92
IUPAC Name5-hydroxy-2-iodosylbenzoic acid
SMILESO=Ic1ccc(O)cc1C(=O)O
InChIInChI=1S/C7H5IO4/c9-4-1-2-6(8-12)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKeyZFAOJECXVIUGRF-UHFFFAOYSA-N
XLogP1.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.02
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodosyl-5-methylbenzoic acid
CID 3827925
4-hydroxyphthalic acid;hydrate
CID 171991193
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-hydroxy-2-sulfanylbenzoic acid
CID 22056787
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,4-dihydroxybenzoic acid
CID 1491
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
5-hydroxy-3-iodosylnaphthalene-2-carboxylic acid
CID 23357093
3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
2-hydroperoxy-5-hydroxybenzoic acid
CID 19099205

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-iodosylbenzoic acid?
The IUPAC name of 5-hydroxy-2-iodosylbenzoic acid (CID 23357998) is 5-hydroxy-2-iodosylbenzoic acid.
What is the SMILES notation for 5-hydroxy-2-iodosylbenzoic acid?
The canonical SMILES for 5-hydroxy-2-iodosylbenzoic acid is O=Ic1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-iodosylbenzoic acid?
The InChIKey is ZFAOJECXVIUGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO4/c9-4-1-2-6(8-12)5(3-4)7(10)11/h1-3,9H,(H,10,11).
What are the key properties of 5-hydroxy-2-iodosylbenzoic acid?
5-hydroxy-2-iodosylbenzoic acid has a molecular weight of 280.02 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-iodosylbenzoic acid is sourced from PubChem (CID 23357998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).