ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane

C8H8IN3 — CID 163711371

IUPACethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane
SMILESC/C=I/n1cnc2cnccc21
InChIInChI=1S/C8H8IN3/c1-2-9-12-6-11-7-5-10-4-3-8(7)12/h2-6H,1H3
InChIKeyKJMXIBVVWXYTBY-UHFFFAOYSA-N
MW273.08 g/mol
LogP1.99
Rot. Bonds1

About ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane

ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane (PubChem CID 163711371) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane.

Molecular Properties

Compound Nameethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane
PubChem CID163711371
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Nameethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane
SMILESC/C=I/n1cnc2cnccc21
InChIInChI=1S/C8H8IN3/c1-2-9-12-6-11-7-5-10-4-3-8(7)12/h2-6H,1H3
InChIKeyKJMXIBVVWXYTBY-UHFFFAOYSA-N
XLogP1.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane?
The IUPAC name of ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane (CID 163711371) is ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane.
What is the SMILES notation for ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane?
The canonical SMILES for ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane is C/C=I/n1cnc2cnccc21.
What is the InChIKey of ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane?
The InChIKey is KJMXIBVVWXYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN3/c1-2-9-12-6-11-7-5-10-4-3-8(7)12/h2-6H,1H3.
What are the key properties of ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane?
ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane has a molecular weight of 273.08 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene(imidazo[4,5-c]pyridin-1-yl)-λ3-iodane is sourced from PubChem (CID 163711371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).