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

C10H7BrF2N2O2 — CID 177321005

IUPAC6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
SMILESO=C1NC2(CC(F)(F)C2)n2c1ccc(Br)c2=O
InChIInChI=1S/C10H7BrF2N2O2/c11-5-1-2-6-7(16)14-10(15(6)8(5)17)3-9(12,13)4-10/h1-2H,3-4H2,(H,14,16)
InChIKeyOKFFZEOLVPVUOT-UHFFFAOYSA-N
MW305.08 g/mol
LogP1.44
Rot. Bonds

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

6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione (PubChem CID 177321005) has the molecular formula C10H7BrF2N2O2 and a molecular weight of 305.08 g/mol. Its IUPAC name is 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
PubChem CID177321005
Molecular FormulaC10H7BrF2N2O2
Molecular Weight305.08 g/mol
Exact Mass303.97
IUPAC Name6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
SMILESO=C1NC2(CC(F)(F)C2)n2c1ccc(Br)c2=O
InChIInChI=1S/C10H7BrF2N2O2/c11-5-1-2-6-7(16)14-10(15(6)8(5)17)3-9(12,13)4-10/h1-2H,3-4H2,(H,14,16)
InChIKeyOKFFZEOLVPVUOT-UHFFFAOYSA-N
XLogP1.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.08
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione?
The IUPAC name of 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione (CID 177321005) is 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione.
What is the SMILES notation for 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione?
The canonical SMILES for 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione is O=C1NC2(CC(F)(F)C2)n2c1ccc(Br)c2=O.
What is the InChIKey of 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione?
The InChIKey is OKFFZEOLVPVUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O2/c11-5-1-2-6-7(16)14-10(15(6)8(5)17)3-9(12,13)4-10/h1-2H,3-4H2,(H,14,16).
What are the key properties of 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione?
6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione has a molecular weight of 305.08 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione is sourced from PubChem (CID 177321005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).