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

C11H13ClN2 — CID 63588413

IUPAC2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESClc1cccc(N2CC3CCC2C3)n1
InChIInChI=1S/C11H13ClN2/c12-10-2-1-3-11(13-10)14-7-8-4-5-9(14)6-8/h1-3,8-9H,4-7H2
InChIKeyXIIPRUJAWFQLMK-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.72
Rot. Bonds1

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

2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 63588413) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
PubChem CID63588413
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESClc1cccc(N2CC3CCC2C3)n1
InChIInChI=1S/C11H13ClN2/c12-10-2-1-3-11(13-10)14-7-8-4-5-9(14)6-8/h1-3,8-9H,4-7H2
InChIKeyXIIPRUJAWFQLMK-UHFFFAOYSA-N
XLogP2.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane (CID 63588413) is 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane is Clc1cccc(N2CC3CCC2C3)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is XIIPRUJAWFQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-10-2-1-3-11(13-10)14-7-8-4-5-9(14)6-8/h1-3,8-9H,4-7H2.
What are the key properties of 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane?
2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 208.69 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 63588413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).