lithium 2-iodoacetate

C2H2ILiO2 — CID 23677321

IUPAClithium 2-iodoacetate
SMILESO=C([O-])CI.[Li+]
InChIInChI=1S/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKeyRZCFQIDTJPHHFJ-UHFFFAOYSA-M
MW191.88 g/mol
LogP-3.82
Rot. Bonds1

About lithium 2-iodoacetate

lithium 2-iodoacetate (PubChem CID 23677321) has the molecular formula C2H2ILiO2 and a molecular weight of 191.88 g/mol. Its IUPAC name is lithium 2-iodoacetate.

Molecular Properties

Compound Namelithium 2-iodoacetate
PubChem CID23677321
Molecular FormulaC2H2ILiO2
Molecular Weight191.88 g/mol
Exact Mass191.93
IUPAC Namelithium 2-iodoacetate
SMILESO=C([O-])CI.[Li+]
InChIInChI=1S/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKeyRZCFQIDTJPHHFJ-UHFFFAOYSA-M
XLogP-3.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.88
LogP ≤ 5-3.82
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

indium(1+);propanoate
CID 101213769
azanium;lithium;butanedioate
CID 18352245
2-hydroxyacetate
CID 5460308
trilithium;2-(carboxylatomethylsulfonylazanidylsulfonyl)acetate
CID 102181566
lithium;hexanedioate;hydron
CID 87066964
CID 170839506
CID 170839506
dilithium;niobium;carbonate
CID 174670751
dilithium;strontium;dicarbonate
CID 174897273
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
beryllium bis(2-chloroacetate)
CID 146405283
bis(neodymium(3+));tris(propanedioate)
CID 159312291
iron(2+);propanedioate
CID 14944028

Frequently Asked Questions

What is the IUPAC name of lithium 2-iodoacetate?
The IUPAC name of lithium 2-iodoacetate (CID 23677321) is lithium 2-iodoacetate.
What is the SMILES notation for lithium 2-iodoacetate?
The canonical SMILES for lithium 2-iodoacetate is O=C([O-])CI.[Li+].
What is the InChIKey of lithium 2-iodoacetate?
The InChIKey is RZCFQIDTJPHHFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3IO2.Li/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1.
What are the key properties of lithium 2-iodoacetate?
lithium 2-iodoacetate has a molecular weight of 191.88 g/mol, XLogP of -3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-iodoacetate is sourced from PubChem (CID 23677321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).