8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane

C14H18Br2N2 — CID 113413836

IUPAC8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
SMILESBrc1cnc(N2CCC3(CCCC3)CC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2/c15-11-9-12(16)13(17-10-11)18-7-5-14(6-8-18)3-1-2-4-14/h9-10H,1-8H2
InChIKeyCXCULYIUYLIMGH-UHFFFAOYSA-N
MW374.12 g/mol
LogP4.77
Rot. Bonds1

About 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane

8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane (PubChem CID 113413836) has the molecular formula C14H18Br2N2 and a molecular weight of 374.12 g/mol. Its IUPAC name is 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
PubChem CID113413836
Molecular FormulaC14H18Br2N2
Molecular Weight374.12 g/mol
Exact Mass371.98
IUPAC Name8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
SMILESBrc1cnc(N2CCC3(CCCC3)CC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2/c15-11-9-12(16)13(17-10-11)18-7-5-14(6-8-18)3-1-2-4-14/h9-10H,1-8H2
InChIKeyCXCULYIUYLIMGH-UHFFFAOYSA-N
XLogP4.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane 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 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane (CID 113413836) is 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane is Brc1cnc(N2CCC3(CCCC3)CC2)c(Br)c1.
What is the InChIKey of 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane?
The InChIKey is CXCULYIUYLIMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2/c15-11-9-12(16)13(17-10-11)18-7-5-14(6-8-18)3-1-2-4-14/h9-10H,1-8H2.
What are the key properties of 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane?
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane has a molecular weight of 374.12 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 113413836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).