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

C12H15ClN2 — CID 57485598

IUPAC6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane
SMILESClc1ccc(C2CC3CC2CCN3)cn1
InChIInChI=1S/C12H15ClN2/c13-12-2-1-9(7-15-12)11-6-10-5-8(11)3-4-14-10/h1-2,7-8,10-11,14H,3-6H2
InChIKeyMEHRMFOXILWIDU-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.59
Rot. Bonds1

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

6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane (PubChem CID 57485598) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane
PubChem CID57485598
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane
SMILESClc1ccc(C2CC3CC2CCN3)cn1
InChIInChI=1S/C12H15ClN2/c13-12-2-1-9(7-15-12)11-6-10-5-8(11)3-4-14-10/h1-2,7-8,10-11,14H,3-6H2
InChIKeyMEHRMFOXILWIDU-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.59
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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Related Compounds

(1S,4S,5S)-5-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10058912
(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 854023
(1R,2S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10081807
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine
CID 11543114
(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10013301
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
6-phenyl-2-azabicyclo[3.3.1]nonane
CID 57485502
6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol
CID 10910792
2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
CID 88937447

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane?
The IUPAC name of 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane (CID 57485598) is 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane is Clc1ccc(C2CC3CC2CCN3)cn1.
What is the InChIKey of 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane?
The InChIKey is MEHRMFOXILWIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-12-2-1-9(7-15-12)11-6-10-5-8(11)3-4-14-10/h1-2,7-8,10-11,14H,3-6H2.
What are the key properties of 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane?
6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane has a molecular weight of 222.72 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 57485598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).