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

C9H7BrClN3O2 — CID 118598730

IUPAC6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione
SMILESO=C1NC2(CNC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C9H7BrClN3O2/c10-4-1-5(11)6-7(15)13-9(2-12-3-9)14(6)8(4)16/h1,12H,2-3H2,(H,13,15)
InChIKeyRXTWXVYJINVJDB-UHFFFAOYSA-N
MW304.53 g/mol
LogP0.26
Rot. Bonds

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

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione (PubChem CID 118598730) has the molecular formula C9H7BrClN3O2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione
PubChem CID118598730
Molecular FormulaC9H7BrClN3O2
Molecular Weight304.53 g/mol
Exact Mass302.94
IUPAC Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione
SMILESO=C1NC2(CNC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C9H7BrClN3O2/c10-4-1-5(11)6-7(15)13-9(2-12-3-9)14(6)8(4)16/h1,12H,2-3H2,(H,13,15)
InChIKeyRXTWXVYJINVJDB-UHFFFAOYSA-N
XLogP0.26
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 50.26
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'-azetidine]-1,5-dione?
The IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione (CID 118598730) is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione?
The canonical SMILES for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione is O=C1NC2(CNC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione?
The InChIKey is RXTWXVYJINVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O2/c10-4-1-5(11)6-7(15)13-9(2-12-3-9)14(6)8(4)16/h1,12H,2-3H2,(H,13,15).
What are the key properties of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione?
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,3'-azetidine]-1,5-dione has a molecular weight of 304.53 g/mol, XLogP of 0.26, 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'-azetidine]-1,5-dione is sourced from PubChem (CID 118598730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).