7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane

C11H13IN2 — CID 11335567

IUPAC7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESIc1ccc(N2C3CCC2CC3)nc1
InChIInChI=1S/C11H13IN2/c12-8-1-6-11(13-7-8)14-9-2-3-10(14)5-4-9/h1,6-7,9-10H,2-5H2
InChIKeyUKJPYNDSKGZAHP-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.82
Rot. Bonds1

About 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane

7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 11335567) has the molecular formula C11H13IN2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID11335567
Molecular FormulaC11H13IN2
Molecular Weight300.14 g/mol
Exact Mass300.01
IUPAC Name7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESIc1ccc(N2C3CCC2CC3)nc1
InChIInChI=1S/C11H13IN2/c12-8-1-6-11(13-7-8)14-9-2-3-10(14)5-4-9/h1,6-7,9-10H,2-5H2
InChIKeyUKJPYNDSKGZAHP-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 11335567) is 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is Ic1ccc(N2C3CCC2CC3)nc1.
What is the InChIKey of 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is UKJPYNDSKGZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2/c12-8-1-6-11(13-7-8)14-9-2-3-10(14)5-4-9/h1,6-7,9-10H,2-5H2.
What are the key properties of 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane?
7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 300.14 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-iodo-2-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11335567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).