2,3-diiodopropanoate

C3H3I2O2- — CID 155784790

IUPAC2,3-diiodopropanoate
SMILESO=C([O-])C(I)CI
InChIInChI=1S/C3H4I2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)/p-1
InChIKeyNFEQHPRQOQMUSG-UHFFFAOYSA-M
MW324.86 g/mol
LogP-0.03
Rot. Bonds2

About 2,3-diiodopropanoate

2,3-diiodopropanoate (PubChem CID 155784790) has the molecular formula C3H3I2O2- and a molecular weight of 324.86 g/mol. Its IUPAC name is 2,3-diiodopropanoate.

Molecular Properties

Compound Name2,3-diiodopropanoate
PubChem CID155784790
Molecular FormulaC3H3I2O2-
Molecular Weight324.86 g/mol
Exact Mass324.82
IUPAC Name2,3-diiodopropanoate
SMILESO=C([O-])C(I)CI
InChIInChI=1S/C3H4I2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)/p-1
InChIKeyNFEQHPRQOQMUSG-UHFFFAOYSA-M
XLogP-0.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cadmium(2+);bis(2,3-diiodopropanoate)
CID 22604603
2-iodopent-4-enoate
CID 18921929
3-iodo-2-methylpropanoate
CID 19426736
sodium 2-iodododecanoate
CID 141360253
sodium 2-iodononanoate
CID 141360284
potassium 2-iodononanoate
CID 141360310
calcium bis(2-iodopropanoate)
CID 88606274
lithium 2-iodoacetate
CID 23677321
magnesium 2-ethylpropanedioate
CID 22261989
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
2-(dimethylamino)ethyl 2,3-diiodopropanoate
CID 147574545
ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
CID 174680586

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodopropanoate?
The IUPAC name of 2,3-diiodopropanoate (CID 155784790) is 2,3-diiodopropanoate.
What is the SMILES notation for 2,3-diiodopropanoate?
The canonical SMILES for 2,3-diiodopropanoate is O=C([O-])C(I)CI.
What is the InChIKey of 2,3-diiodopropanoate?
The InChIKey is NFEQHPRQOQMUSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4I2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)/p-1.
What are the key properties of 2,3-diiodopropanoate?
2,3-diiodopropanoate has a molecular weight of 324.86 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodopropanoate is sourced from PubChem (CID 155784790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).