7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide

C12H15Br2N — CID 21161176

IUPAC7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
SMILESBr.Brc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C12H14BrN.BrH/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14;/h7-8H,1-6H2;1H
InChIKeyWVZLJALRYWJQAA-UHFFFAOYSA-N
MW333.07 g/mol
LogP3.73
Rot. Bonds

About 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide

7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide (PubChem CID 21161176) has the molecular formula C12H15Br2N and a molecular weight of 333.07 g/mol. Its IUPAC name is 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide.

Molecular Properties

Compound Name7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
PubChem CID21161176
Molecular FormulaC12H15Br2N
Molecular Weight333.07 g/mol
Exact Mass330.96
IUPAC Name7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
SMILESBr.Brc1cc2c3c(c1)CCCN3CCC2
InChIInChI=1S/C12H14BrN.BrH/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14;/h7-8H,1-6H2;1H
InChIKeyWVZLJALRYWJQAA-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.07
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide 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 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide?
The IUPAC name of 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide (CID 21161176) is 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide.
What is the SMILES notation for 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide?
The canonical SMILES for 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide is Br.Brc1cc2c3c(c1)CCCN3CCC2.
What is the InChIKey of 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide?
The InChIKey is WVZLJALRYWJQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN.BrH/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14;/h7-8H,1-6H2;1H.
What are the key properties of 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide?
7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide has a molecular weight of 333.07 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide is sourced from PubChem (CID 21161176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).