lithium;hydride;3-iodo-2-iodooxybenzoic acid

C7H5I2LiO3 — CID 173171906

IUPAClithium;hydride;3-iodo-2-iodooxybenzoic acid
SMILESO=C(O)c1cccc(I)c1OI.[H-].[Li+]
InChIInChI=1S/C7H4I2O3.Li.H/c8-5-3-1-2-4(7(10)11)6(5)12-9;;/h1-3H,(H,10,11);;/q;+1;-1
InChIKeyDXWWATZTOFEVER-UHFFFAOYSA-N
MW397.86 g/mol
LogP-0.17
Rot. Bonds2

About lithium;hydride;3-iodo-2-iodooxybenzoic acid

lithium;hydride;3-iodo-2-iodooxybenzoic acid (PubChem CID 173171906) has the molecular formula C7H5I2LiO3 and a molecular weight of 397.86 g/mol. Its IUPAC name is lithium;hydride;3-iodo-2-iodooxybenzoic acid.

Molecular Properties

Compound Namelithium;hydride;3-iodo-2-iodooxybenzoic acid
PubChem CID173171906
Molecular FormulaC7H5I2LiO3
Molecular Weight397.86 g/mol
Exact Mass397.85
IUPAC Namelithium;hydride;3-iodo-2-iodooxybenzoic acid
SMILESO=C(O)c1cccc(I)c1OI.[H-].[Li+]
InChIInChI=1S/C7H4I2O3.Li.H/c8-5-3-1-2-4(7(10)11)6(5)12-9;;/h1-3H,(H,10,11);;/q;+1;-1
InChIKeyDXWWATZTOFEVER-UHFFFAOYSA-N
XLogP-0.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;3-iodo-2-iodooxybenzoic acid?
The IUPAC name of lithium;hydride;3-iodo-2-iodooxybenzoic acid (CID 173171906) is lithium;hydride;3-iodo-2-iodooxybenzoic acid.
What is the SMILES notation for lithium;hydride;3-iodo-2-iodooxybenzoic acid?
The canonical SMILES for lithium;hydride;3-iodo-2-iodooxybenzoic acid is O=C(O)c1cccc(I)c1OI.[H-].[Li+].
What is the InChIKey of lithium;hydride;3-iodo-2-iodooxybenzoic acid?
The InChIKey is DXWWATZTOFEVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2O3.Li.H/c8-5-3-1-2-4(7(10)11)6(5)12-9;;/h1-3H,(H,10,11);;/q;+1;-1.
What are the key properties of lithium;hydride;3-iodo-2-iodooxybenzoic acid?
lithium;hydride;3-iodo-2-iodooxybenzoic acid has a molecular weight of 397.86 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;3-iodo-2-iodooxybenzoic acid is sourced from PubChem (CID 173171906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).