6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C11H11BrN2O3 — CID 177321009

IUPAC6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESO=C1NC2(CCOCC2)n2c1ccc(Br)c2=O
InChIInChI=1S/C11H11BrN2O3/c12-7-1-2-8-9(15)13-11(14(8)10(7)16)3-5-17-6-4-11/h1-2H,3-6H2,(H,13,15)
InChIKeyVUZUEQUFZKWHKK-UHFFFAOYSA-N
MW299.12 g/mol
LogP0.82
Rot. Bonds

About 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 177321009) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID177321009
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESO=C1NC2(CCOCC2)n2c1ccc(Br)c2=O
InChIInChI=1S/C11H11BrN2O3/c12-7-1-2-8-9(15)13-11(14(8)10(7)16)3-5-17-6-4-11/h1-2H,3-6H2,(H,13,15)
InChIKeyVUZUEQUFZKWHKK-UHFFFAOYSA-N
XLogP0.82
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598682
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598873
spiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 175157178
8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 178180699

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 177321009) is 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is O=C1NC2(CCOCC2)n2c1ccc(Br)c2=O.
What is the InChIKey of 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is VUZUEQUFZKWHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c12-7-1-2-8-9(15)13-11(14(8)10(7)16)3-5-17-6-4-11/h1-2H,3-6H2,(H,13,15).
What are the key properties of 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 299.12 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 177321009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).