2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane

C11H13BrN2 — CID 71996709

IUPAC2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESBrc1cncc(N2CC3CCC2C3)c1
InChIInChI=1S/C11H13BrN2/c12-9-4-11(6-13-5-9)14-7-8-1-2-10(14)3-8/h4-6,8,10H,1-3,7H2
InChIKeyYQPXYWWUHZAGHV-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.83
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane

2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 71996709) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
PubChem CID71996709
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESBrc1cncc(N2CC3CCC2C3)c1
InChIInChI=1S/C11H13BrN2/c12-9-4-11(6-13-5-9)14-7-8-1-2-10(14)3-8/h4-6,8,10H,1-3,7H2
InChIKeyYQPXYWWUHZAGHV-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane (CID 71996709) is 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane is Brc1cncc(N2CC3CCC2C3)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is YQPXYWWUHZAGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c12-9-4-11(6-13-5-9)14-7-8-1-2-10(14)3-8/h4-6,8,10H,1-3,7H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 253.14 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71996709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).