2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

C17H17ClN2 — CID 10085312

IUPAC2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1ncc(C2CC3CCC2N3)cc1-c1ccccc1
InChIInChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
InChIKeyCCCKJPGFLXNAOM-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.01
Rot. Bonds2

About 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 10085312) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID10085312
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1ncc(C2CC3CCC2N3)cc1-c1ccccc1
InChIInChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
InChIKeyCCCKJPGFLXNAOM-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.01
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-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 10085312) is 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is Clc1ncc(C2CC3CCC2N3)cc1-c1ccccc1.
What is the InChIKey of 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is CCCKJPGFLXNAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2.
What are the key properties of 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 284.79 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10085312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).