7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane

C12H15IN2O — CID 134406353

IUPAC7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESIc1ccc(N2CCC3(CC2)COC3)cn1
InChIInChI=1S/C12H15IN2O/c13-11-2-1-10(7-14-11)15-5-3-12(4-6-15)8-16-9-12/h1-2,7H,3-6,8-9H2
InChIKeySSZJACQANKLWHV-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.30
Rot. Bonds1

About 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane

7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 134406353) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane
PubChem CID134406353
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane
SMILESIc1ccc(N2CCC3(CC2)COC3)cn1
InChIInChI=1S/C12H15IN2O/c13-11-2-1-10(7-14-11)15-5-3-12(4-6-15)8-16-9-12/h1-2,7H,3-6,8-9H2
InChIKeySSZJACQANKLWHV-UHFFFAOYSA-N
XLogP2.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane (CID 134406353) is 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane is Ic1ccc(N2CCC3(CC2)COC3)cn1.
What is the InChIKey of 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is SSZJACQANKLWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-11-2-1-10(7-14-11)15-5-3-12(4-6-15)8-16-9-12/h1-2,7H,3-6,8-9H2.
What are the key properties of 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane?
7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 330.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-iodo-3-pyridinyl)-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 134406353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).