6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C11H11BrClN3O2 — CID 118598901

IUPAC6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESO=C1NC2(CCCNC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H11BrClN3O2/c12-6-4-7(13)8-9(17)15-11(16(8)10(6)18)2-1-3-14-5-11/h4,14H,1-3,5H2,(H,15,17)
InChIKeyMLFXEANEHYDLHQ-UHFFFAOYSA-N
MW332.59 g/mol
LogP1.04
Rot. Bonds

About 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 118598901) has the molecular formula C11H11BrClN3O2 and a molecular weight of 332.59 g/mol. Its IUPAC name is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID118598901
Molecular FormulaC11H11BrClN3O2
Molecular Weight332.59 g/mol
Exact Mass330.97
IUPAC Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESO=C1NC2(CCCNC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H11BrClN3O2/c12-6-4-7(13)8-9(17)15-11(16(8)10(6)18)2-1-3-14-5-11/h4,14H,1-3,5H2,(H,15,17)
InChIKeyMLFXEANEHYDLHQ-UHFFFAOYSA-N
XLogP1.04
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 118598901) is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is O=C1NC2(CCCNC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is MLFXEANEHYDLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2/c12-6-4-7(13)8-9(17)15-11(16(8)10(6)18)2-1-3-14-5-11/h4,14H,1-3,5H2,(H,15,17).
What are the key properties of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 332.59 g/mol, XLogP of 1.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 118598901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).