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

C11H10BrClN2O3 — CID 118598724

IUPAC6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESO=C1NC2(CCOCC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H10BrClN2O3/c12-6-5-7(13)8-9(16)14-11(15(8)10(6)17)1-3-18-4-2-11/h5H,1-4H2,(H,14,16)
InChIKeyHJHTYTXBVCDWFS-UHFFFAOYSA-N
MW333.57 g/mol
LogP1.47
Rot. Bonds

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

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 118598724) has the molecular formula C11H10BrClN2O3 and a molecular weight of 333.57 g/mol. Its IUPAC name is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID118598724
Molecular FormulaC11H10BrClN2O3
Molecular Weight333.57 g/mol
Exact Mass331.96
IUPAC Name6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESO=C1NC2(CCOCC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H10BrClN2O3/c12-6-5-7(13)8-9(16)14-11(15(8)10(6)17)1-3-18-4-2-11/h5H,1-4H2,(H,14,16)
InChIKeyHJHTYTXBVCDWFS-UHFFFAOYSA-N
XLogP1.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.57
LogP ≤ 51.47
H-Bond Donors ≤ 51
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'-oxane]-1,5-dione?
The IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 118598724) is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is O=C1NC2(CCOCC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is HJHTYTXBVCDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O3/c12-6-5-7(13)8-9(16)14-11(15(8)10(6)17)1-3-18-4-2-11/h5H,1-4H2,(H,14,16).
What are the key properties of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 333.57 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 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'-oxane]-1,5-dione is sourced from PubChem (CID 118598724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).