sodium;2,2-diiodoacetic acid;hydride

C2H3I2NaO2 — CID 174620082

IUPACsodium;2,2-diiodoacetic acid;hydride
SMILESO=C(O)C(I)I.[H-].[Na+]
InChIInChI=1S/C2H2I2O2.Na.H/c3-1(4)2(5)6;;/h1H,(H,5,6);;/q;+1;-1
InChIKeyZXCOPMLMPUMWGR-UHFFFAOYSA-N
MW335.84 g/mol
LogP-1.62
Rot. Bonds1

About sodium;2,2-diiodoacetic acid;hydride

sodium;2,2-diiodoacetic acid;hydride (PubChem CID 174620082) has the molecular formula C2H3I2NaO2 and a molecular weight of 335.84 g/mol. Its IUPAC name is sodium;2,2-diiodoacetic acid;hydride.

Molecular Properties

Compound Namesodium;2,2-diiodoacetic acid;hydride
PubChem CID174620082
Molecular FormulaC2H3I2NaO2
Molecular Weight335.84 g/mol
Exact Mass335.81
IUPAC Namesodium;2,2-diiodoacetic acid;hydride
SMILESO=C(O)C(I)I.[H-].[Na+]
InChIInChI=1S/C2H2I2O2.Na.H/c3-1(4)2(5)6;;/h1H,(H,5,6);;/q;+1;-1
InChIKeyZXCOPMLMPUMWGR-UHFFFAOYSA-N
XLogP-1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 5-1.62
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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Related Compounds

CID 173054452
CID 173054452
magnesium;sodium;hydride;2-hydroxypropanoic acid
CID 175010169
(2S)-2-bromo-2-iodoacetic acid
CID 95858521
2-chloro-2-iodoacetic acid
CID 23426777
magnesium;sodium;carbonic acid
CID 175754934
sodium;carbonic acid;hydride
CID 173065911
trimagnesium;carbonic acid;hydride
CID 173236021
magnesium;carbonic acid;hydride
CID 173064498
trisodium;carbonic acid;hydride
CID 173012363
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
2-cyclopropyl-2-iodoacetic acid
CID 14143351

Frequently Asked Questions

What is the IUPAC name of sodium;2,2-diiodoacetic acid;hydride?
The IUPAC name of sodium;2,2-diiodoacetic acid;hydride (CID 174620082) is sodium;2,2-diiodoacetic acid;hydride.
What is the SMILES notation for sodium;2,2-diiodoacetic acid;hydride?
The canonical SMILES for sodium;2,2-diiodoacetic acid;hydride is O=C(O)C(I)I.[H-].[Na+].
What is the InChIKey of sodium;2,2-diiodoacetic acid;hydride?
The InChIKey is ZXCOPMLMPUMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2I2O2.Na.H/c3-1(4)2(5)6;;/h1H,(H,5,6);;/q;+1;-1.
What are the key properties of sodium;2,2-diiodoacetic acid;hydride?
sodium;2,2-diiodoacetic acid;hydride has a molecular weight of 335.84 g/mol, XLogP of -1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-diiodoacetic acid;hydride is sourced from PubChem (CID 174620082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).