1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane

C10H11BrN2O — CID 146451944

IUPAC1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane
SMILESBrc1ccnc(N2CCC23COC3)c1
InChIInChI=1S/C10H11BrN2O/c11-8-1-3-12-9(5-8)13-4-2-10(13)6-14-7-10/h1,3,5H,2,4,6-7H2
InChIKeyHGYVYKIUWDBTJB-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.82
Rot. Bonds1

About 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane

1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane (PubChem CID 146451944) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane
PubChem CID146451944
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane
SMILESBrc1ccnc(N2CCC23COC3)c1
InChIInChI=1S/C10H11BrN2O/c11-8-1-3-12-9(5-8)13-4-2-10(13)6-14-7-10/h1,3,5H,2,4,6-7H2
InChIKeyHGYVYKIUWDBTJB-UHFFFAOYSA-N
XLogP1.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane 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 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane (CID 146451944) is 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane is Brc1ccnc(N2CCC23COC3)c1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane?
The InChIKey is HGYVYKIUWDBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-1-3-12-9(5-8)13-4-2-10(13)6-14-7-10/h1,3,5H,2,4,6-7H2.
What are the key properties of 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane?
1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane has a molecular weight of 255.11 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane is sourced from PubChem (CID 146451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).