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

C11H13BrN2 — CID 131097671

IUPAC7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESBrc1cccc(N2C3CCC2CC3)n1
InChIInChI=1S/C11H13BrN2/c12-10-2-1-3-11(13-10)14-8-4-5-9(14)7-6-8/h1-3,8-9H,4-7H2
InChIKeyQWZOOXKPEDIAPZ-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.98
Rot. Bonds1

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

7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 131097671) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID131097671
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESBrc1cccc(N2C3CCC2CC3)n1
InChIInChI=1S/C11H13BrN2/c12-10-2-1-3-11(13-10)14-8-4-5-9(14)7-6-8/h1-3,8-9H,4-7H2
InChIKeyQWZOOXKPEDIAPZ-UHFFFAOYSA-N
XLogP2.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.98
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 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 131097671) is 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is Brc1cccc(N2C3CCC2CC3)n1.
What is the InChIKey of 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is QWZOOXKPEDIAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c12-10-2-1-3-11(13-10)14-8-4-5-9(14)7-6-8/h1-3,8-9H,4-7H2.
What are the key properties of 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 253.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-bromo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131097671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).