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

C12H7BrFN3O — CID 79955578

IUPAC6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine
SMILESFc1cccc(Oc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C12H7BrFN3O/c13-10-7-17-5-4-15-11(17)12(16-10)18-9-3-1-2-8(14)6-9/h1-7H
InChIKeyMSMWJBQUNYBWGB-UHFFFAOYSA-N
MW308.11 g/mol
LogP3.42
Rot. Bonds2

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

6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine (PubChem CID 79955578) has the molecular formula C12H7BrFN3O and a molecular weight of 308.11 g/mol. Its IUPAC name is 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine
PubChem CID79955578
Molecular FormulaC12H7BrFN3O
Molecular Weight308.11 g/mol
Exact Mass306.98
IUPAC Name6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine
SMILESFc1cccc(Oc2nc(Br)cn3ccnc23)c1
InChIInChI=1S/C12H7BrFN3O/c13-10-7-17-5-4-15-11(17)12(16-10)18-9-3-1-2-8(14)6-9/h1-7H
InChIKeyMSMWJBQUNYBWGB-UHFFFAOYSA-N
XLogP3.42
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 53.42
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-fluorophenoxy)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine (CID 79955578) is 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine is Fc1cccc(Oc2nc(Br)cn3ccnc23)c1.
What is the InChIKey of 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine?
The InChIKey is MSMWJBQUNYBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3O/c13-10-7-17-5-4-15-11(17)12(16-10)18-9-3-1-2-8(14)6-9/h1-7H.
What are the key properties of 6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine?
6-bromo-8-(3-fluorophenoxy)imidazo[1,2-a]pyrazine has a molecular weight of 308.11 g/mol, XLogP of 3.42, 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-fluorophenoxy)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79955578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).