3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine

C7H4BrClIN3 — CID 87390583

IUPAC3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine
SMILESCc1nc2c(Cl)nc(I)cn2c1Br
InChIInChI=1S/C7H4BrClIN3/c1-3-5(8)13-2-4(10)12-6(9)7(13)11-3/h2H,1H3
InChIKeyBELPUNDMLDFBJY-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.06
Rot. Bonds

About 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine

3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine (PubChem CID 87390583) has the molecular formula C7H4BrClIN3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine
PubChem CID87390583
Molecular FormulaC7H4BrClIN3
Molecular Weight372.39 g/mol
Exact Mass370.83
IUPAC Name3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine
SMILESCc1nc2c(Cl)nc(I)cn2c1Br
InChIInChI=1S/C7H4BrClIN3/c1-3-5(8)13-2-4(10)12-6(9)7(13)11-3/h2H,1H3
InChIKeyBELPUNDMLDFBJY-UHFFFAOYSA-N
XLogP3.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.06
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-6-iodo-2-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine (CID 87390583) is 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine is Cc1nc2c(Cl)nc(I)cn2c1Br.
What is the InChIKey of 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine?
The InChIKey is BELPUNDMLDFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClIN3/c1-3-5(8)13-2-4(10)12-6(9)7(13)11-3/h2H,1H3.
What are the key properties of 3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine?
3-bromo-8-chloro-6-iodo-2-methylimidazo[1,2-a]pyrazine has a molecular weight of 372.39 g/mol, XLogP of 3.06, 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-6-iodo-2-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 87390583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).