2,3-diiodopropanoic acid

C3H4I2O2 — CID 19019307

IUPAC2,3-diiodopropanoic acid
SMILESO=C(O)C(I)CI
InChIInChI=1S/C3H4I2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKeyNFEQHPRQOQMUSG-UHFFFAOYSA-N
MW325.87 g/mol
LogP1.31
Rot. Bonds2

About 2,3-diiodopropanoic acid

2,3-diiodopropanoic acid (PubChem CID 19019307) has the molecular formula C3H4I2O2 and a molecular weight of 325.87 g/mol. Its IUPAC name is 2,3-diiodopropanoic acid.

Molecular Properties

Compound Name2,3-diiodopropanoic acid
PubChem CID19019307
Molecular FormulaC3H4I2O2
Molecular Weight325.87 g/mol
Exact Mass325.83
IUPAC Name2,3-diiodopropanoic acid
SMILESO=C(O)C(I)CI
InChIInChI=1S/C3H4I2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKeyNFEQHPRQOQMUSG-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 51.31
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 2,3-diiodopropanoic acid?
The IUPAC name of 2,3-diiodopropanoic acid (CID 19019307) is 2,3-diiodopropanoic acid.
What is the SMILES notation for 2,3-diiodopropanoic acid?
The canonical SMILES for 2,3-diiodopropanoic acid is O=C(O)C(I)CI.
What is the InChIKey of 2,3-diiodopropanoic acid?
The InChIKey is NFEQHPRQOQMUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4I2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7).
What are the key properties of 2,3-diiodopropanoic acid?
2,3-diiodopropanoic acid has a molecular weight of 325.87 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodopropanoic acid is sourced from PubChem (CID 19019307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).