2,2,3-triiodopropanoic acid

C3H3I3O2 — CID 22613268

IUPAC2,2,3-triiodopropanoic acid
SMILESO=C(O)C(I)(I)CI
InChIInChI=1S/C3H3I3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)
InChIKeyRVDVRLLBJFYBEL-UHFFFAOYSA-N
MW451.77 g/mol
LogP2.07
Rot. Bonds2

About 2,2,3-triiodopropanoic acid

2,2,3-triiodopropanoic acid (PubChem CID 22613268) has the molecular formula C3H3I3O2 and a molecular weight of 451.77 g/mol. Its IUPAC name is 2,2,3-triiodopropanoic acid.

Molecular Properties

Compound Name2,2,3-triiodopropanoic acid
PubChem CID22613268
Molecular FormulaC3H3I3O2
Molecular Weight451.77 g/mol
Exact Mass451.73
IUPAC Name2,2,3-triiodopropanoic acid
SMILESO=C(O)C(I)(I)CI
InChIInChI=1S/C3H3I3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)
InChIKeyRVDVRLLBJFYBEL-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-triiodopropanoic acid?
The IUPAC name of 2,2,3-triiodopropanoic acid (CID 22613268) is 2,2,3-triiodopropanoic acid.
What is the SMILES notation for 2,2,3-triiodopropanoic acid?
The canonical SMILES for 2,2,3-triiodopropanoic acid is O=C(O)C(I)(I)CI.
What is the InChIKey of 2,2,3-triiodopropanoic acid?
The InChIKey is RVDVRLLBJFYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3I3O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8).
What are the key properties of 2,2,3-triiodopropanoic acid?
2,2,3-triiodopropanoic acid has a molecular weight of 451.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triiodopropanoic acid is sourced from PubChem (CID 22613268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).