6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

C11H9BrClF2N3O2 — CID 150668848

IUPAC6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESO=C1NC2(CNCCC2(F)F)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H9BrClF2N3O2/c12-5-3-6(13)7-8(19)17-11(18(7)9(5)20)4-16-2-1-10(11,14)15/h3,16H,1-2,4H2,(H,17,19)
InChIKeyJFLNMLOHQCVJQT-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.29
Rot. Bonds

About 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione

6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (PubChem CID 150668848) has the molecular formula C11H9BrClF2N3O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
PubChem CID150668848
Molecular FormulaC11H9BrClF2N3O2
Molecular Weight368.57 g/mol
Exact Mass366.95
IUPAC Name6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
SMILESO=C1NC2(CNCCC2(F)F)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C11H9BrClF2N3O2/c12-5-3-6(13)7-8(19)17-11(18(7)9(5)20)4-16-2-1-10(11,14)15/h3,16H,1-2,4H2,(H,17,19)
InChIKeyJFLNMLOHQCVJQT-UHFFFAOYSA-N
XLogP1.29
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione (CID 150668848) is 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is O=C1NC2(CNCCC2(F)F)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
The InChIKey is JFLNMLOHQCVJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClF2N3O2/c12-5-3-6(13)7-8(19)17-11(18(7)9(5)20)4-16-2-1-10(11,14)15/h3,16H,1-2,4H2,(H,17,19).
What are the key properties of 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione?
6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione has a molecular weight of 368.57 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione is sourced from PubChem (CID 150668848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).