diazido(methyl)-λ3-iodane

CH3IN6 — CID 138963112

IUPACdiazido(methyl)-λ3-iodane
SMILESCI(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/CH3IN6/c1-2(5-7-3)6-8-4/h1H3
InChIKeyOWAZEGMOLRWOQG-UHFFFAOYSA-N
MW225.98 g/mol
LogP2.57
Rot. Bonds2

About diazido(methyl)-λ3-iodane

diazido(methyl)-λ3-iodane (PubChem CID 138963112) has the molecular formula CH3IN6 and a molecular weight of 225.98 g/mol. Its IUPAC name is diazido(methyl)-λ3-iodane.

Molecular Properties

Compound Namediazido(methyl)-λ3-iodane
PubChem CID138963112
Molecular FormulaCH3IN6
Molecular Weight225.98 g/mol
Exact Mass225.95
IUPAC Namediazido(methyl)-λ3-iodane
SMILESCI(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/CH3IN6/c1-2(5-7-3)6-8-4/h1H3
InChIKeyOWAZEGMOLRWOQG-UHFFFAOYSA-N
XLogP2.57
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.98
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 175225659
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Frequently Asked Questions

What is the IUPAC name of diazido(methyl)-λ3-iodane?
The IUPAC name of diazido(methyl)-λ3-iodane (CID 138963112) is diazido(methyl)-λ3-iodane.
What is the SMILES notation for diazido(methyl)-λ3-iodane?
The canonical SMILES for diazido(methyl)-λ3-iodane is CI(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of diazido(methyl)-λ3-iodane?
The InChIKey is OWAZEGMOLRWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3IN6/c1-2(5-7-3)6-8-4/h1H3.
What are the key properties of diazido(methyl)-λ3-iodane?
diazido(methyl)-λ3-iodane has a molecular weight of 225.98 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diazido(methyl)-λ3-iodane is sourced from PubChem (CID 138963112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).