6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride

C11H12BrCl2N3O2 — CID 118599017

IUPAC6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H11BrClN3O2.ClH/c12-6-5-7(13)8-9(17)15-11(16(8)10(6)18)1-3-14-4-2-11;/h5,14H,1-4H2,(H,15,17);1H
InChIKeyVTSWZDDFNMRQRE-UHFFFAOYSA-N
MW369.05 g/mol
LogP1.47
Rot. Bonds

About 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride (PubChem CID 118599017) has the molecular formula C11H12BrCl2N3O2 and a molecular weight of 369.05 g/mol. Its IUPAC name is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
PubChem CID118599017
Molecular FormulaC11H12BrCl2N3O2
Molecular Weight369.05 g/mol
Exact Mass366.95
IUPAC Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
SMILESCl.O=C1NC2(CCNCC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H11BrClN3O2.ClH/c12-6-5-7(13)8-9(17)15-11(16(8)10(6)18)1-3-14-4-2-11;/h5,14H,1-4H2,(H,15,17);1H
InChIKeyVTSWZDDFNMRQRE-UHFFFAOYSA-N
XLogP1.47
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.05
LogP ≤ 51.47
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-3,4'-piperidine]-1,5-dione;hydrochloride?
The IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride (CID 118599017) is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride.
What is the SMILES notation for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The canonical SMILES for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride is Cl.O=C1NC2(CCNCC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
The InChIKey is VTSWZDDFNMRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O2.ClH/c12-6-5-7(13)8-9(17)15-11(16(8)10(6)18)1-3-14-4-2-11;/h5,14H,1-4H2,(H,15,17);1H.
What are the key properties of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride?
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride has a molecular weight of 369.05 g/mol, XLogP of 1.47, 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-3,4'-piperidine]-1,5-dione;hydrochloride is sourced from PubChem (CID 118599017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).