3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane

C11H13ClN2O — CID 66372105

IUPAC3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClc1cccc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H13ClN2O/c12-10-2-1-3-11(13-10)14-6-8-4-5-9(7-14)15-8/h1-3,8-9H,4-7H2
InChIKeyOHRQGZCCFVBIIK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.10
Rot. Bonds1

About 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66372105) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66372105
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESClc1cccc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H13ClN2O/c12-10-2-1-3-11(13-10)14-6-8-4-5-9(7-14)15-8/h1-3,8-9H,4-7H2
InChIKeyOHRQGZCCFVBIIK-UHFFFAOYSA-N
XLogP2.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66372105) is 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane is Clc1cccc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is OHRQGZCCFVBIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-2-1-3-11(13-10)14-6-8-4-5-9(7-14)15-8/h1-3,8-9H,4-7H2.
What are the key properties of 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 224.69 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66372105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).