[bromo(chloro)-λ3-iodanyl] cyanate

CBrClINO — CID 150516200

IUPAC[bromo(chloro)-λ3-iodanyl] cyanate
SMILESN#COI(Cl)Br
InChIInChI=1S/CBrClINO/c2-4(3)6-1-5
InChIKeyIAWGCBHLYFCHPN-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.37
Rot. Bonds1

About [bromo(chloro)-λ3-iodanyl] cyanate

[bromo(chloro)-λ3-iodanyl] cyanate (PubChem CID 150516200) has the molecular formula CBrClINO and a molecular weight of 284.28 g/mol. Its IUPAC name is [bromo(chloro)-λ3-iodanyl] cyanate.

Molecular Properties

Compound Name[bromo(chloro)-λ3-iodanyl] cyanate
PubChem CID150516200
Molecular FormulaCBrClINO
Molecular Weight284.28 g/mol
Exact Mass282.79
IUPAC Name[bromo(chloro)-λ3-iodanyl] cyanate
SMILESN#COI(Cl)Br
InChIInChI=1S/CBrClINO/c2-4(3)6-1-5
InChIKeyIAWGCBHLYFCHPN-UHFFFAOYSA-N
XLogP2.37
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bromo(chloro)-λ3-iodanyl] cyanate?
The IUPAC name of [bromo(chloro)-λ3-iodanyl] cyanate (CID 150516200) is [bromo(chloro)-λ3-iodanyl] cyanate.
What is the SMILES notation for [bromo(chloro)-λ3-iodanyl] cyanate?
The canonical SMILES for [bromo(chloro)-λ3-iodanyl] cyanate is N#COI(Cl)Br.
What is the InChIKey of [bromo(chloro)-λ3-iodanyl] cyanate?
The InChIKey is IAWGCBHLYFCHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/CBrClINO/c2-4(3)6-1-5.
What are the key properties of [bromo(chloro)-λ3-iodanyl] cyanate?
[bromo(chloro)-λ3-iodanyl] cyanate has a molecular weight of 284.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(chloro)-λ3-iodanyl] cyanate is sourced from PubChem (CID 150516200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).