2-iodobutanedioyl dichloride

C4H3Cl2IO2 — CID 142226674

IUPAC2-iodobutanedioyl dichloride
SMILESO=C(Cl)CC(I)C(=O)Cl
InChIInChI=1S/C4H3Cl2IO2/c5-3(8)1-2(7)4(6)9/h2H,1H2
InChIKeyJQMWPERHNLZKDY-UHFFFAOYSA-N
MW280.88 g/mol
LogP1.71
Rot. Bonds3

About 2-iodobutanedioyl dichloride

2-iodobutanedioyl dichloride (PubChem CID 142226674) has the molecular formula C4H3Cl2IO2 and a molecular weight of 280.88 g/mol. Its IUPAC name is 2-iodobutanedioyl dichloride.

Molecular Properties

Compound Name2-iodobutanedioyl dichloride
PubChem CID142226674
Molecular FormulaC4H3Cl2IO2
Molecular Weight280.88 g/mol
Exact Mass279.86
IUPAC Name2-iodobutanedioyl dichloride
SMILESO=C(Cl)CC(I)C(=O)Cl
InChIInChI=1S/C4H3Cl2IO2/c5-3(8)1-2(7)4(6)9/h2H,1H2
InChIKeyJQMWPERHNLZKDY-UHFFFAOYSA-N
XLogP1.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.88
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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-iodobutanedioyl dichloride?
The IUPAC name of 2-iodobutanedioyl dichloride (CID 142226674) is 2-iodobutanedioyl dichloride.
What is the SMILES notation for 2-iodobutanedioyl dichloride?
The canonical SMILES for 2-iodobutanedioyl dichloride is O=C(Cl)CC(I)C(=O)Cl.
What is the InChIKey of 2-iodobutanedioyl dichloride?
The InChIKey is JQMWPERHNLZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2IO2/c5-3(8)1-2(7)4(6)9/h2H,1H2.
What are the key properties of 2-iodobutanedioyl dichloride?
2-iodobutanedioyl dichloride has a molecular weight of 280.88 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobutanedioyl dichloride is sourced from PubChem (CID 142226674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).