6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C12H11BrF2N2O2 — CID 177321004

IUPAC6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCC(F)(F)CC2)n2c1ccc(Br)c2=O
InChIInChI=1S/C12H11BrF2N2O2/c13-7-1-2-8-9(18)16-12(17(8)10(7)19)5-3-11(14,15)4-6-12/h1-2H,3-6H2,(H,16,18)
InChIKeyFSDBQZZPGYSJHE-UHFFFAOYSA-N
MW333.13 g/mol
LogP2.22
Rot. Bonds

About 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 177321004) has the molecular formula C12H11BrF2N2O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID177321004
Molecular FormulaC12H11BrF2N2O2
Molecular Weight333.13 g/mol
Exact Mass332.00
IUPAC Name6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESO=C1NC2(CCC(F)(F)CC2)n2c1ccc(Br)c2=O
InChIInChI=1S/C12H11BrF2N2O2/c13-7-1-2-8-9(18)16-12(17(8)10(7)19)5-3-11(14,15)4-6-12/h1-2H,3-6H2,(H,16,18)
InChIKeyFSDBQZZPGYSJHE-UHFFFAOYSA-N
XLogP2.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 177321004) is 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is O=C1NC2(CCC(F)(F)CC2)n2c1ccc(Br)c2=O.
What is the InChIKey of 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is FSDBQZZPGYSJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF2N2O2/c13-7-1-2-8-9(18)16-12(17(8)10(7)19)5-3-11(14,15)4-6-12/h1-2H,3-6H2,(H,16,18).
What are the key properties of 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 333.13 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 177321004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).