8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

C12H15BrN2O2 — CID 71931887

IUPAC8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C12H15BrN2O2/c13-10-7-11(9-14-8-10)15-3-1-12(2-4-15)16-5-6-17-12/h7-9H,1-6H2
InChIKeyQWFUVWPCUYQUEA-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.19
Rot. Bonds1

About 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71931887) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71931887
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1cncc(N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C12H15BrN2O2/c13-10-7-11(9-14-8-10)15-3-1-12(2-4-15)16-5-6-17-12/h7-9H,1-6H2
InChIKeyQWFUVWPCUYQUEA-UHFFFAOYSA-N
XLogP2.19
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122137733
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CID 117609538
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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 71931887) is 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is Brc1cncc(N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is QWFUVWPCUYQUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-7-11(9-14-8-10)15-3-1-12(2-4-15)16-5-6-17-12/h7-9H,1-6H2.
What are the key properties of 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 299.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-3-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71931887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).