3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine

C6H2BrClIN3 — CID 71743089

IUPAC3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine
SMILESClc1nccn2c(Br)nc(I)c12
InChIInChI=1S/C6H2BrClIN3/c7-6-11-5(9)3-4(8)10-1-2-12(3)6/h1-2H
InChIKeyOVCUOCRHILCTAM-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.75
Rot. Bonds

About 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine

3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine (PubChem CID 71743089) has the molecular formula C6H2BrClIN3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine
PubChem CID71743089
Molecular FormulaC6H2BrClIN3
Molecular Weight358.36 g/mol
Exact Mass356.82
IUPAC Name3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine
SMILESClc1nccn2c(Br)nc(I)c12
InChIInChI=1S/C6H2BrClIN3/c7-6-11-5(9)3-4(8)10-1-2-12(3)6/h1-2H
InChIKeyOVCUOCRHILCTAM-UHFFFAOYSA-N
XLogP2.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.75
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 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine?
The IUPAC name of 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine (CID 71743089) is 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine?
The canonical SMILES for 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine is Clc1nccn2c(Br)nc(I)c12.
What is the InChIKey of 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine?
The InChIKey is OVCUOCRHILCTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClIN3/c7-6-11-5(9)3-4(8)10-1-2-12(3)6/h1-2H.
What are the key properties of 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine?
3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine has a molecular weight of 358.36 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-1-iodoimidazo[1,5-a]pyrazine is sourced from PubChem (CID 71743089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).