3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

C9H8BrF2N3 — CID 118961330

IUPAC3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(c3cnc(Br)cn3)CC21
InChIInChI=1S/C9H8BrF2N3/c10-7-1-14-8(2-13-7)15-3-5-6(4-15)9(5,11)12/h1-2,5-6H,3-4H2
InChIKeyLEHATVTZCDXLJF-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.94
Rot. Bonds1

About 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 118961330) has the molecular formula C9H8BrF2N3 and a molecular weight of 276.08 g/mol. Its IUPAC name is 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID118961330
Molecular FormulaC9H8BrF2N3
Molecular Weight276.08 g/mol
Exact Mass274.99
IUPAC Name3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(c3cnc(Br)cn3)CC21
InChIInChI=1S/C9H8BrF2N3/c10-7-1-14-8(2-13-7)15-3-5-6(4-15)9(5,11)12/h1-2,5-6H,3-4H2
InChIKeyLEHATVTZCDXLJF-UHFFFAOYSA-N
XLogP1.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 118961330) is 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is FC1(F)C2CN(c3cnc(Br)cn3)CC21.
What is the InChIKey of 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is LEHATVTZCDXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N3/c10-7-1-14-8(2-13-7)15-3-5-6(4-15)9(5,11)12/h1-2,5-6H,3-4H2.
What are the key properties of 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 276.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118961330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).