3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine

C12H10BrFN2O — CID 65417750

IUPAC3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H10BrFN2O/c1-7-6-15-8(2)12(16-7)17-9-3-4-10(13)11(14)5-9/h3-6H,1-2H3
InChIKeyYRJYMLXRPGQPHM-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.79
Rot. Bonds2

About 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine

3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine (PubChem CID 65417750) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine
PubChem CID65417750
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H10BrFN2O/c1-7-6-15-8(2)12(16-7)17-9-3-4-10(13)11(14)5-9/h3-6H,1-2H3
InChIKeyYRJYMLXRPGQPHM-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine (CID 65417750) is 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine is Cc1cnc(C)c(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine?
The InChIKey is YRJYMLXRPGQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-7-6-15-8(2)12(16-7)17-9-3-4-10(13)11(14)5-9/h3-6H,1-2H3.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine?
3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine has a molecular weight of 297.13 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)-2,5-dimethylpyrazine is sourced from PubChem (CID 65417750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).