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

C12H15ClN2 — CID 11601009

IUPAC2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CCC1C(c1ccc(Cl)nc1)C2
InChIInChI=1S/C12H15ClN2/c1-15-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3
InChIKeyHLNPMOXPJPCMLY-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.69
Rot. Bonds1

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

2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane (PubChem CID 11601009) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
PubChem CID11601009
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
SMILESCN1C2CCC1C(c1ccc(Cl)nc1)C2
InChIInChI=1S/C12H15ClN2/c1-15-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3
InChIKeyHLNPMOXPJPCMLY-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.69
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-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane (CID 11601009) is 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane is CN1C2CCC1C(c1ccc(Cl)nc1)C2.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is HLNPMOXPJPCMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-15-9-3-4-11(15)10(6-9)8-2-5-12(13)14-7-8/h2,5,7,9-11H,3-4,6H2,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane?
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 222.72 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11601009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).