3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane

C13H17BrN2O — CID 11695070

IUPAC3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane
SMILESBrc1cccc(OC2CC3CCCC(C2)N3)n1
InChIInChI=1S/C13H17BrN2O/c14-12-5-2-6-13(16-12)17-11-7-9-3-1-4-10(8-11)15-9/h2,5-6,9-11,15H,1,3-4,7-8H2
InChIKeyYJPRXNDWSKQBPO-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.90
Rot. Bonds2

About 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane

3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane (PubChem CID 11695070) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane
PubChem CID11695070
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane
SMILESBrc1cccc(OC2CC3CCCC(C2)N3)n1
InChIInChI=1S/C13H17BrN2O/c14-12-5-2-6-13(16-12)17-11-7-9-3-1-4-10(8-11)15-9/h2,5-6,9-11,15H,1,3-4,7-8H2
InChIKeyYJPRXNDWSKQBPO-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 73053571
2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-6-bromopyridine
CID 88878782
(1S,5R)-3-[(6-phenyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 53323531
(1S,5R)-3-(3-bromophenoxy)-9-azabicyclo[3.3.1]nonane
CID 58878515
2-bromo-6-pyrrolidin-3-yloxypyridine;hydrochloride
CID 56831277
3-(2-bromo-3-chlorophenoxy)-9-azabicyclo[3.3.1]nonane
CID 66840556
(1R,5S)-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane
CID 58878529
2-cyclopentyloxy-6-fluoropyridine
CID 61227788
(1S,5R)-3-(1-benzofuran-7-yloxy)-9-azabicyclo[3.3.1]nonane
CID 58878516
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037
3-[3-(trifluoromethoxy)phenoxy]-9-azabicyclo[3.3.1]nonane
CID 66840207
2-bromo-6-[(3S,4R)-4-methylpyrrolidin-3-yl]oxypyridine
CID 121284132

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane (CID 11695070) is 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane is Brc1cccc(OC2CC3CCCC(C2)N3)n1.
What is the InChIKey of 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane?
The InChIKey is YJPRXNDWSKQBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-12-5-2-6-13(16-12)17-11-7-9-3-1-4-10(8-11)15-9/h2,5-6,9-11,15H,1,3-4,7-8H2.
What are the key properties of 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane?
3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane has a molecular weight of 297.20 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-pyridinyl)oxy]-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 11695070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).