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

C11H13IN2 — CID 15265902

IUPAC2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESIc1ccc(C2CC3CCC2N3)cn1
InChIInChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
InChIKeyHFZMLKBIAFLYRM-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.29
Rot. Bonds1

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

2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 15265902) has the molecular formula C11H13IN2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID15265902
Molecular FormulaC11H13IN2
Molecular Weight300.14 g/mol
Exact Mass300.01
IUPAC Name2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESIc1ccc(C2CC3CCC2N3)cn1
InChIInChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
InChIKeyHFZMLKBIAFLYRM-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 15265902) is 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is Ic1ccc(C2CC3CCC2N3)cn1.
What is the InChIKey of 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is HFZMLKBIAFLYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2.
What are the key properties of 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 300.14 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 15265902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).