6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine

C12H6BrClFN3O — CID 79955850

IUPAC6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine
SMILESFc1ccc(Oc2nc(Br)cn3ccnc23)cc1Cl
InChIInChI=1S/C12H6BrClFN3O/c13-10-6-18-4-3-16-11(18)12(17-10)19-7-1-2-9(15)8(14)5-7/h1-6H
InChIKeyUOKLZZBSUZARMQ-UHFFFAOYSA-N
MW342.56 g/mol
LogP4.08
Rot. Bonds2

About 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine

6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine (PubChem CID 79955850) has the molecular formula C12H6BrClFN3O and a molecular weight of 342.56 g/mol. Its IUPAC name is 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine
PubChem CID79955850
Molecular FormulaC12H6BrClFN3O
Molecular Weight342.56 g/mol
Exact Mass340.94
IUPAC Name6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine
SMILESFc1ccc(Oc2nc(Br)cn3ccnc23)cc1Cl
InChIInChI=1S/C12H6BrClFN3O/c13-10-6-18-4-3-16-11(18)12(17-10)19-7-1-2-9(15)8(14)5-7/h1-6H
InChIKeyUOKLZZBSUZARMQ-UHFFFAOYSA-N
XLogP4.08
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine (CID 79955850) is 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine is Fc1ccc(Oc2nc(Br)cn3ccnc23)cc1Cl.
What is the InChIKey of 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine?
The InChIKey is UOKLZZBSUZARMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN3O/c13-10-6-18-4-3-16-11(18)12(17-10)19-7-1-2-9(15)8(14)5-7/h1-6H.
What are the key properties of 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine has a molecular weight of 342.56 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3-chloro-4-fluorophenoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).