hypoiodous acid;iodobenzene;hydrate

C6H9I3O3 — CID 172828538

IUPAChypoiodous acid;iodobenzene;hydrate
SMILESIc1ccccc1.O.OI.OI
InChIInChI=1S/C6H5I.2HIO.H2O/c7-6-4-2-1-3-5-6;2*1-2;/h1-5H;2*2H;1H2
InChIKeyVEYZULQRDPDXES-UHFFFAOYSA-N
MW509.85 g/mol
LogP2.12
Rot. Bonds

About hypoiodous acid;iodobenzene;hydrate

hypoiodous acid;iodobenzene;hydrate (PubChem CID 172828538) has the molecular formula C6H9I3O3 and a molecular weight of 509.85 g/mol. Its IUPAC name is hypoiodous acid;iodobenzene;hydrate.

Molecular Properties

Compound Namehypoiodous acid;iodobenzene;hydrate
PubChem CID172828538
Molecular FormulaC6H9I3O3
Molecular Weight509.85 g/mol
Exact Mass509.77
IUPAC Namehypoiodous acid;iodobenzene;hydrate
SMILESIc1ccccc1.O.OI.OI
InChIInChI=1S/C6H5I.2HIO.H2O/c7-6-4-2-1-3-5-6;2*1-2;/h1-5H;2*2H;1H2
InChIKeyVEYZULQRDPDXES-UHFFFAOYSA-N
XLogP2.12
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iodobenzene;methane
CID 161271441
iodobenzene dichloride
CID 13166207
iodobenzene;sulfuric acid
CID 174810699
iodobenzene;propan-2-one
CID 159413459
hydron;iodobenzene;hexafluorophosphate
CID 174937039
ethane;iodobenzene;methane;molecular hydrogen
CID 161119948
CID 172858912
CID 172858912
iodobenzene;sulfuryl dichloride
CID 87648200
acetaldehyde;iodobenzene
CID 159105616
1,4-diiodobenzene;phenol;sulfane
CID 174804949
iodobenzene;1,3,5-trimethylbenzene;hydrobromide
CID 175079627
iodobenzene;trifluoromethanesulfonate
CID 18458510

Frequently Asked Questions

What is the IUPAC name of hypoiodous acid;iodobenzene;hydrate?
The IUPAC name of hypoiodous acid;iodobenzene;hydrate (CID 172828538) is hypoiodous acid;iodobenzene;hydrate.
What is the SMILES notation for hypoiodous acid;iodobenzene;hydrate?
The canonical SMILES for hypoiodous acid;iodobenzene;hydrate is Ic1ccccc1.O.OI.OI.
What is the InChIKey of hypoiodous acid;iodobenzene;hydrate?
The InChIKey is VEYZULQRDPDXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.2HIO.H2O/c7-6-4-2-1-3-5-6;2*1-2;/h1-5H;2*2H;1H2.
What are the key properties of hypoiodous acid;iodobenzene;hydrate?
hypoiodous acid;iodobenzene;hydrate has a molecular weight of 509.85 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hypoiodous acid;iodobenzene;hydrate is sourced from PubChem (CID 172828538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).