2-iodo-2-oxoacetyl chloride

C2ClIO2 — CID 88586713

IUPAC2-iodo-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)I
InChIInChI=1S/C2ClIO2/c3-1(5)2(4)6
InChIKeyUYQSZWZNFDPWAE-UHFFFAOYSA-N
MW218.38 g/mol
LogP0.71
Rot. Bonds1

About 2-iodo-2-oxoacetyl chloride

2-iodo-2-oxoacetyl chloride (PubChem CID 88586713) has the molecular formula C2ClIO2 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-iodo-2-oxoacetyl chloride.

Molecular Properties

Compound Name2-iodo-2-oxoacetyl chloride
PubChem CID88586713
Molecular FormulaC2ClIO2
Molecular Weight218.38 g/mol
Exact Mass217.86
IUPAC Name2-iodo-2-oxoacetyl chloride
SMILESO=C(Cl)C(=O)I
InChIInChI=1S/C2ClIO2/c3-1(5)2(4)6
InChIKeyUYQSZWZNFDPWAE-UHFFFAOYSA-N
XLogP0.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-oxoacetyl chloride?
The IUPAC name of 2-iodo-2-oxoacetyl chloride (CID 88586713) is 2-iodo-2-oxoacetyl chloride.
What is the SMILES notation for 2-iodo-2-oxoacetyl chloride?
The canonical SMILES for 2-iodo-2-oxoacetyl chloride is O=C(Cl)C(=O)I.
What is the InChIKey of 2-iodo-2-oxoacetyl chloride?
The InChIKey is UYQSZWZNFDPWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClIO2/c3-1(5)2(4)6.
What are the key properties of 2-iodo-2-oxoacetyl chloride?
2-iodo-2-oxoacetyl chloride has a molecular weight of 218.38 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-oxoacetyl chloride is sourced from PubChem (CID 88586713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).