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

C13H13BrClF2N3O2 — CID 118599036

IUPAC6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESO=C1NC2(CCN(CC(F)F)CC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C13H13BrClF2N3O2/c14-7-5-8(15)10-11(21)18-13(20(10)12(7)22)1-3-19(4-2-13)6-9(16)17/h5,9H,1-4,6H2,(H,18,21)
InChIKeyQPSLBVDKODZNFH-UHFFFAOYSA-N
MW396.62 g/mol
LogP2.02
Rot. Bonds2

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

6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118599036) has the molecular formula C13H13BrClF2N3O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118599036
Molecular FormulaC13H13BrClF2N3O2
Molecular Weight396.62 g/mol
Exact Mass394.98
IUPAC Name6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESO=C1NC2(CCN(CC(F)F)CC2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C13H13BrClF2N3O2/c14-7-5-8(15)10-11(21)18-13(20(10)12(7)22)1-3-19(4-2-13)6-9(16)17/h5,9H,1-4,6H2,(H,18,21)
InChIKeyQPSLBVDKODZNFH-UHFFFAOYSA-N
XLogP2.02
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118599036) is 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is O=C1NC2(CCN(CC(F)F)CC2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is QPSLBVDKODZNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClF2N3O2/c14-7-5-8(15)10-11(21)18-13(20(10)12(7)22)1-3-19(4-2-13)6-9(16)17/h5,9H,1-4,6H2,(H,18,21).
What are the key properties of 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 396.62 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-1'-(2,2-difluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118599036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).