6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

C13H14BrClN2O2 — CID 118598581

IUPAC6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCC1(C)CCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C13H14BrClN2O2/c1-12(2)4-3-5-13(12)16-10(18)9-8(15)6-7(14)11(19)17(9)13/h6H,3-5H2,1-2H3,(H,16,18)
InChIKeyNMHRIPOIIGVQLO-UHFFFAOYSA-N
MW345.62 g/mol
LogP2.87
Rot. Bonds

About 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione

6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (PubChem CID 118598581) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
PubChem CID118598581
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
SMILESCC1(C)CCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12
InChIInChI=1S/C13H14BrClN2O2/c1-12(2)4-3-5-13(12)16-10(18)9-8(15)6-7(14)11(19)17(9)13/h6H,3-5H2,1-2H3,(H,16,18)
InChIKeyNMHRIPOIIGVQLO-UHFFFAOYSA-N
XLogP2.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione 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-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione (CID 118598581) is 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is CC1(C)CCCC12NC(=O)c1c(Cl)cc(Br)c(=O)n12.
What is the InChIKey of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
The InChIKey is NMHRIPOIIGVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-12(2)4-3-5-13(12)16-10(18)9-8(15)6-7(14)11(19)17(9)13/h6H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione?
6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione has a molecular weight of 345.62 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione is sourced from PubChem (CID 118598581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).