6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane

C11H14IN3 — CID 18432735

IUPAC6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane
SMILESIc1cncc(N2CC3CNCC2C3)c1
InChIInChI=1S/C11H14IN3/c12-9-2-11(6-14-4-9)15-7-8-1-10(15)5-13-3-8/h2,4,6,8,10,13H,1,3,5,7H2
InChIKeyJLHXWFFATLHELC-UHFFFAOYSA-N
MW315.16 g/mol
LogP1.48
Rot. Bonds1

About 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane

6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane (PubChem CID 18432735) has the molecular formula C11H14IN3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane
PubChem CID18432735
Molecular FormulaC11H14IN3
Molecular Weight315.16 g/mol
Exact Mass315.02
IUPAC Name6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane
SMILESIc1cncc(N2CC3CNCC2C3)c1
InChIInChI=1S/C11H14IN3/c12-9-2-11(6-14-4-9)15-7-8-1-10(15)5-13-3-8/h2,4,6,8,10,13H,1,3,5,7H2
InChIKeyJLHXWFFATLHELC-UHFFFAOYSA-N
XLogP1.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane (CID 18432735) is 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane is Ic1cncc(N2CC3CNCC2C3)c1.
What is the InChIKey of 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is JLHXWFFATLHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3/c12-9-2-11(6-14-4-9)15-7-8-1-10(15)5-13-3-8/h2,4,6,8,10,13H,1,3,5,7H2.
What are the key properties of 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane?
6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 315.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-iodo-3-pyridinyl)-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 18432735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).