5-(2-Bromopyrid-5-yl)-1-azabicyclo[3.2.1]octane

HCID 86259378

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1ccc(C23CCCN(CC2)C3)cn1
InChIKey: PYKOURFGLHGUEV-UHFFFAOYSA-N
Molecular formula: C12H15BrN2
Average molar mass: 267.16 g/mol

Names & identifiers

Preferred name: 5-(2-Bromopyrid-5-yl)-1-azabicyclo[3.2.1]octane
IUPAC: 5-(6-bromo-3-pyridinyl)-1-azabicyclo[3.2.1]octane

Names & synonyms

SCHEMBL1482859PYKOURFGLHGUEV-UHFFFAOYSA-N5-(2-bromopyrid-5-yl)-1-azabicyclo[3.2.1]octane(-)-5-(2-bromopyrid-5-yl)-1-azabicyclo[3.2.1]octane

Database identifiers

PubChem CID: 86259378

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 16.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 246

Related reactions

8 records

New reaction record

HRID 44455As productuspto-grants-2013_09

HRID 44456As reactantuspto-grants-2013_09

HRID 44459As reactantuspto-grants-2013_09

HRID 249747As productuspto-grants-2011_01

HRID 249748As reactantuspto-grants-2011_01

HRID 249750As reactantuspto-grants-2011_01

HRID 836909As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2152907As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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