5-amino-2,3-diiodobenzoic acid

C7H5I2NO2 — CID 131091000

IUPAC5-amino-2,3-diiodobenzoic acid
SMILESNc1cc(I)c(I)c(C(=O)O)c1
InChIInChI=1S/C7H5I2NO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyUYVUSFFNVKMTPE-UHFFFAOYSA-N
MW388.93 g/mol
LogP2.18
Rot. Bonds1

About 5-amino-2,3-diiodobenzoic acid

5-amino-2,3-diiodobenzoic acid (PubChem CID 131091000) has the molecular formula C7H5I2NO2 and a molecular weight of 388.93 g/mol. Its IUPAC name is 5-amino-2,3-diiodobenzoic acid.

Molecular Properties

Compound Name5-amino-2,3-diiodobenzoic acid
PubChem CID131091000
Molecular FormulaC7H5I2NO2
Molecular Weight388.93 g/mol
Exact Mass388.84
IUPAC Name5-amino-2,3-diiodobenzoic acid
SMILESNc1cc(I)c(I)c(C(=O)O)c1
InChIInChI=1S/C7H5I2NO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyUYVUSFFNVKMTPE-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.93
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-3-iodobenzoic acid
CID 131288926
2-amino-4,5-diiodobenzoic acid
CID 20534143
3-hydroxy-2,4,5-triiodobenzoic acid
CID 88695592
2,3,5-triaminobenzoic acid
CID 18407375
4-amino-2-bromo-6-iodobenzoic acid
CID 166642106
4-amino-2,5-diiodobenzoic acid
CID 130968177
2-hydroxy-3,4,5-triiodobenzoic acid
CID 12617667
2,4,5-triiodobenzoic acid
CID 4693340
4-amino-2,6-diiodobenzoyl chloride
CID 88847643
2-amino-5-chloro-3-iodobenzoic acid
CID 53441656
5-amino-3-iodopyridine-2-carboxylic acid
CID 133054416
3-carbamoyl-2,5,6-triiodobenzoic acid
CID 88756924

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-diiodobenzoic acid?
The IUPAC name of 5-amino-2,3-diiodobenzoic acid (CID 131091000) is 5-amino-2,3-diiodobenzoic acid.
What is the SMILES notation for 5-amino-2,3-diiodobenzoic acid?
The canonical SMILES for 5-amino-2,3-diiodobenzoic acid is Nc1cc(I)c(I)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2,3-diiodobenzoic acid?
The InChIKey is UYVUSFFNVKMTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I2NO2/c8-5-2-3(10)1-4(6(5)9)7(11)12/h1-2H,10H2,(H,11,12).
What are the key properties of 5-amino-2,3-diiodobenzoic acid?
5-amino-2,3-diiodobenzoic acid has a molecular weight of 388.93 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-diiodobenzoic acid is sourced from PubChem (CID 131091000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).