2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine

C8H8BrF2N3O — CID 130856869

IUPAC2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine
SMILESFC(F)OC1CN(c2cnc(Br)cn2)C1
InChIInChI=1S/C8H8BrF2N3O/c9-6-1-13-7(2-12-6)14-3-5(4-14)15-8(10)11/h1-2,5,8H,3-4H2
InChIKeyWDHPKHVKIUFPEP-UHFFFAOYSA-N
MW280.07 g/mol
LogP1.67
Rot. Bonds3

About 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine

2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine (PubChem CID 130856869) has the molecular formula C8H8BrF2N3O and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine
PubChem CID130856869
Molecular FormulaC8H8BrF2N3O
Molecular Weight280.07 g/mol
Exact Mass278.98
IUPAC Name2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine
SMILESFC(F)OC1CN(c2cnc(Br)cn2)C1
InChIInChI=1S/C8H8BrF2N3O/c9-6-1-13-7(2-12-6)14-3-5(4-14)15-8(10)11/h1-2,5,8H,3-4H2
InChIKeyWDHPKHVKIUFPEP-UHFFFAOYSA-N
XLogP1.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine?
The IUPAC name of 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine (CID 130856869) is 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine.
What is the SMILES notation for 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine?
The canonical SMILES for 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine is FC(F)OC1CN(c2cnc(Br)cn2)C1.
What is the InChIKey of 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine?
The InChIKey is WDHPKHVKIUFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3O/c9-6-1-13-7(2-12-6)14-3-5(4-14)15-8(10)11/h1-2,5,8H,3-4H2.
What are the key properties of 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine?
2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine has a molecular weight of 280.07 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(difluoromethoxy)azetidin-1-yl]pyrazine is sourced from PubChem (CID 130856869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).