3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

C10H9BrF2N2 — CID 118961065

IUPAC3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(c3ccc(Br)cn3)CC21
InChIInChI=1S/C10H9BrF2N2/c11-6-1-2-9(14-3-6)15-4-7-8(5-15)10(7,12)13/h1-3,7-8H,4-5H2
InChIKeyUZKFCDQZODASHT-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.55
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 118961065) has the molecular formula C10H9BrF2N2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID118961065
Molecular FormulaC10H9BrF2N2
Molecular Weight275.10 g/mol
Exact Mass273.99
IUPAC Name3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(c3ccc(Br)cn3)CC21
InChIInChI=1S/C10H9BrF2N2/c11-6-1-2-9(14-3-6)15-4-7-8(5-15)10(7,12)13/h1-3,7-8H,4-5H2
InChIKeyUZKFCDQZODASHT-UHFFFAOYSA-N
XLogP2.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 118961065) is 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is FC1(F)C2CN(c3ccc(Br)cn3)CC21.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is UZKFCDQZODASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N2/c11-6-1-2-9(14-3-6)15-4-7-8(5-15)10(7,12)13/h1-3,7-8H,4-5H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 275.10 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118961065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).