2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine

C11H8BrFN2O — CID 83063727

IUPAC2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine
SMILESCc1nccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C11H8BrFN2O/c1-7-11(15-5-4-14-7)16-8-2-3-9(12)10(13)6-8/h2-6H,1H3
InChIKeyQRCUSXLLUIPDLJ-UHFFFAOYSA-N
MW283.10 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine

2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine (PubChem CID 83063727) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine
PubChem CID83063727
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine
SMILESCc1nccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C11H8BrFN2O/c1-7-11(15-5-4-14-7)16-8-2-3-9(12)10(13)6-8/h2-6H,1H3
InChIKeyQRCUSXLLUIPDLJ-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine (CID 83063727) is 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine is Cc1nccnc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine?
The InChIKey is QRCUSXLLUIPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-7-11(15-5-4-14-7)16-8-2-3-9(12)10(13)6-8/h2-6H,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine?
2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine has a molecular weight of 283.10 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-3-methylpyrazine is sourced from PubChem (CID 83063727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).