3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane

C13H17ClN2O — CID 11470771

IUPAC3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ccc(Cl)cn1)C2
InChIInChI=1S/C13H17ClN2O/c1-16-10-3-4-11(16)7-12(6-10)17-13-5-2-9(14)8-15-13/h2,5,8,10-12H,3-4,6-7H2,1H3
InChIKeyKMWLYKKWMIILBO-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.74
Rot. Bonds2

About 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane

3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 11470771) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID11470771
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ccc(Cl)cn1)C2
InChIInChI=1S/C13H17ClN2O/c1-16-10-3-4-11(16)7-12(6-10)17-13-5-2-9(14)8-15-13/h2,5,8,10-12H,3-4,6-7H2,1H3
InChIKeyKMWLYKKWMIILBO-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 11470771) is 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(Oc1ccc(Cl)cn1)C2.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is KMWLYKKWMIILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16-10-3-4-11(16)7-12(6-10)17-13-5-2-9(14)8-15-13/h2,5,8,10-12H,3-4,6-7H2,1H3.
What are the key properties of 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane?
3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 252.74 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 11470771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).