(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane

C13H13BrGeN2O — CID 166018520

IUPAC(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane
SMILESC[Ge](C)(C)c1ccc2c(n1)oc1c(Br)nccc12
InChIInChI=1S/C13H13BrGeN2O/c1-15(2,3)10-5-4-9-8-6-7-16-12(14)11(8)18-13(9)17-10/h4-7H,1-3H3
InChIKeyNYOFORKKYMAOMZ-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.68
Rot. Bonds1

About (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane

(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane (PubChem CID 166018520) has the molecular formula C13H13BrGeN2O and a molecular weight of 365.77 g/mol. Its IUPAC name is (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane.

Molecular Properties

Compound Name(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane
PubChem CID166018520
Molecular FormulaC13H13BrGeN2O
Molecular Weight365.77 g/mol
Exact Mass365.94
IUPAC Name(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane
SMILESC[Ge](C)(C)c1ccc2c(n1)oc1c(Br)nccc12
InChIInChI=1S/C13H13BrGeN2O/c1-15(2,3)10-5-4-9-8-6-7-16-12(14)11(8)18-13(9)17-10/h4-7H,1-3H3
InChIKeyNYOFORKKYMAOMZ-UHFFFAOYSA-N
XLogP3.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane 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 (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane?
The IUPAC name of (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane (CID 166018520) is (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane.
What is the SMILES notation for (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane?
The canonical SMILES for (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane is C[Ge](C)(C)c1ccc2c(n1)oc1c(Br)nccc12.
What is the InChIKey of (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane?
The InChIKey is NYOFORKKYMAOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrGeN2O/c1-15(2,3)10-5-4-9-8-6-7-16-12(14)11(8)18-13(9)17-10/h4-7H,1-3H3.
What are the key properties of (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane?
(6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane has a molecular weight of 365.77 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-trimethylgermane is sourced from PubChem (CID 166018520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).