5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane

C10H11ClN2O — CID 131183728

IUPAC5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESClc1cccc(N2CC3CC2CO3)n1
InChIInChI=1S/C10H11ClN2O/c11-9-2-1-3-10(12-9)13-5-8-4-7(13)6-14-8/h1-3,7-8H,4-6H2
InChIKeyBIAQLPAFBPHIKR-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.71
Rot. Bonds1

About 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 131183728) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID131183728
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESClc1cccc(N2CC3CC2CO3)n1
InChIInChI=1S/C10H11ClN2O/c11-9-2-1-3-10(12-9)13-5-8-4-7(13)6-14-8/h1-3,7-8H,4-6H2
InChIKeyBIAQLPAFBPHIKR-UHFFFAOYSA-N
XLogP1.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.71
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 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 131183728) is 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane is Clc1cccc(N2CC3CC2CO3)n1.
What is the InChIKey of 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is BIAQLPAFBPHIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-2-1-3-10(12-9)13-5-8-4-7(13)6-14-8/h1-3,7-8H,4-6H2.
What are the key properties of 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 210.66 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131183728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).