(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane

C12H15BrN2O — CID 131746293

IUPAC(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane
SMILESBrc1ccc(O[C@@H]2C[C@H]3CC[C@@H]2NC3)nc1
InChIInChI=1S/C12H15BrN2O/c13-9-2-4-12(15-7-9)16-11-5-8-1-3-10(11)14-6-8/h2,4,7-8,10-11,14H,1,3,5-6H2/t8-,10+,11-/m1/s1
InChIKeyOQRIRUKAZRIIDN-DVVUODLYSA-N
MW283.17 g/mol
LogP2.36
Rot. Bonds2

About (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane

(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane (PubChem CID 131746293) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane
PubChem CID131746293
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane
SMILESBrc1ccc(O[C@@H]2C[C@H]3CC[C@@H]2NC3)nc1
InChIInChI=1S/C12H15BrN2O/c13-9-2-4-12(15-7-9)16-11-5-8-1-3-10(11)14-6-8/h2,4,7-8,10-11,14H,1,3,5-6H2/t8-,10+,11-/m1/s1
InChIKeyOQRIRUKAZRIIDN-DVVUODLYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane-2-carboxylic acid
CID 150465809
5-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 71303659
5-bromo-2-[(3R)-piperidin-3-yl]oxypyridine
CID 71636380
5-bromo-2-(3-methylcyclopentyl)oxypyridine
CID 67995994
5-bromo-2-piperidin-3-yloxypyridine;hydrochloride
CID 71636384
5-bromo-2-(3,3-difluorocyclobutyl)oxypyridine
CID 151835706
CID 24988248
CID 24988248
5-bromo-2-(1-chloroazetidin-3-yl)oxypyridine
CID 88564773
5-bromo-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 62347925
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
5-bromo-2-methoxypyridine
CID 2734895
[(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 118876833

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane?
The IUPAC name of (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane (CID 131746293) is (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane?
The canonical SMILES for (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane is Brc1ccc(O[C@@H]2C[C@H]3CC[C@@H]2NC3)nc1.
What is the InChIKey of (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane?
The InChIKey is OQRIRUKAZRIIDN-DVVUODLYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-2-4-12(15-7-9)16-11-5-8-1-3-10(11)14-6-8/h2,4,7-8,10-11,14H,1,3,5-6H2/t8-,10+,11-/m1/s1.
What are the key properties of (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane?
(1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane has a molecular weight of 283.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-6-[(5-bromo-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 131746293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).