2-bromo-5-(difluoromethoxy)pyrazine

C5H3BrF2N2O — CID 118998933

IUPAC2-bromo-5-(difluoromethoxy)pyrazine
SMILESFC(F)Oc1cnc(Br)cn1
InChIInChI=1S/C5H3BrF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H
InChIKeyZTWLOEJUYLLHCK-UHFFFAOYSA-N
MW224.99 g/mol
LogP1.84
Rot. Bonds2

About 2-bromo-5-(difluoromethoxy)pyrazine

2-bromo-5-(difluoromethoxy)pyrazine (PubChem CID 118998933) has the molecular formula C5H3BrF2N2O and a molecular weight of 224.99 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethoxy)pyrazine.

Molecular Properties

Compound Name2-bromo-5-(difluoromethoxy)pyrazine
PubChem CID118998933
Molecular FormulaC5H3BrF2N2O
Molecular Weight224.99 g/mol
Exact Mass223.94
IUPAC Name2-bromo-5-(difluoromethoxy)pyrazine
SMILESFC(F)Oc1cnc(Br)cn1
InChIInChI=1S/C5H3BrF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H
InChIKeyZTWLOEJUYLLHCK-UHFFFAOYSA-N
XLogP1.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethoxy)pyrazine?
The IUPAC name of 2-bromo-5-(difluoromethoxy)pyrazine (CID 118998933) is 2-bromo-5-(difluoromethoxy)pyrazine.
What is the SMILES notation for 2-bromo-5-(difluoromethoxy)pyrazine?
The canonical SMILES for 2-bromo-5-(difluoromethoxy)pyrazine is FC(F)Oc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-(difluoromethoxy)pyrazine?
The InChIKey is ZTWLOEJUYLLHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H.
What are the key properties of 2-bromo-5-(difluoromethoxy)pyrazine?
2-bromo-5-(difluoromethoxy)pyrazine has a molecular weight of 224.99 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethoxy)pyrazine is sourced from PubChem (CID 118998933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).