6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile

C12H10BrClN4O2 — CID 140855310

About 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile

6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile (PubChem CID 140855310) has the molecular formula C12H10BrClN4O2 and a molecular weight of 357.60 g/mol. Its IUPAC name is 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile.

Molecular Properties

• Compound Name: 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile
• PubChem CID: 140855310
• Molecular Formula: C12H10BrClN4O2
• Molecular Weight: 357.60 g/mol
• Exact Mass: 355.97
• IUPAC Name: 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile
• SMILES: N#CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12
• InChI: InChI=1S/C12H10BrClN4O2/c13-7-5-8(14)9-10(19)16-12(18(9)11(7)20)1-3-17(6-15)4-2-12/h5H,1-4H2,(H,16,19)
• InChIKey: GNXCTXBLCYLAKT-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 78.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.60
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile?

The IUPAC name of 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile (CID 140855310) is 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile.

What is the SMILES notation for 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile?

The canonical SMILES for 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile is N#CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.

What is the InChIKey of 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile?

The InChIKey is GNXCTXBLCYLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O2/c13-7-5-8(14)9-10(19)16-12(18(9)11(7)20)1-3-17(6-15)4-2-12/h5H,1-4H2,(H,16,19).

What are the key properties of 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile?

6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile has a molecular weight of 357.60 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carbonitrile is sourced from PubChem (CID 140855310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).