2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

C11H13ClN2 — CID 1204

IUPAC2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1ccc(C2CC3CCC2N3)cn1
InChIInChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
InChIKeyNLPRAJRHRHZCQQ-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.34
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 1204) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID1204
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1ccc(C2CC3CCC2N3)cn1
InChIInChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
InChIKeyNLPRAJRHRHZCQQ-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 1204) is 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is Clc1ccc(C2CC3CCC2N3)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is NLPRAJRHRHZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 208.69 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 1204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).