6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane

C12H12BrClF2N2O2 — CID 144985857

IUPAC6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
SMILESCC.O=C1NC2(CC(F)(F)C2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C10H6BrClF2N2O2.C2H6/c11-4-1-5(12)6-7(17)15-10(16(6)8(4)18)2-9(13,14)3-10;1-2/h1H,2-3H2,(H,15,17);1-2H3
InChIKeyKFCXCOHIJVDLNT-UHFFFAOYSA-N
MW369.59 g/mol
LogP3.12
Rot. Bonds

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

6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane (PubChem CID 144985857) has the molecular formula C12H12BrClF2N2O2 and a molecular weight of 369.59 g/mol. Its IUPAC name is 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane.

Molecular Properties

Compound Name6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
PubChem CID144985857
Molecular FormulaC12H12BrClF2N2O2
Molecular Weight369.59 g/mol
Exact Mass367.97
IUPAC Name6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
SMILESCC.O=C1NC2(CC(F)(F)C2)n2c1c(Cl)cc(Br)c2=O
InChIInChI=1S/C10H6BrClF2N2O2.C2H6/c11-4-1-5(12)6-7(17)15-10(16(6)8(4)18)2-9(13,14)3-10;1-2/h1H,2-3H2,(H,15,17);1-2H3
InChIKeyKFCXCOHIJVDLNT-UHFFFAOYSA-N
XLogP3.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
CID 118598915
6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598724
6-bromo-3,3-ditert-butyl-8-chloro-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118599083
6,8-dichlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 162475151
6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione
CID 166460740
7-bromo-5-chloro-3',3'-dimethylspiro[1,3-dihydropyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
CID 146650378
6-bromo-8-chloro-5'-fluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indene]-1,1',5-trione
CID 118598734
tert-butyl 6-bromo-8-chloro-5'-fluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598615
6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine
CID 159863204
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841
4',6-diamino-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 130444092
6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 139387352

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane?
The IUPAC name of 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane (CID 144985857) is 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane.
What is the SMILES notation for 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane?
The canonical SMILES for 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane is CC.O=C1NC2(CC(F)(F)C2)n2c1c(Cl)cc(Br)c2=O.
What is the InChIKey of 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane?
The InChIKey is KFCXCOHIJVDLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClF2N2O2.C2H6/c11-4-1-5(12)6-7(17)15-10(16(6)8(4)18)2-9(13,14)3-10;1-2/h1H,2-3H2,(H,15,17);1-2H3.
What are the key properties of 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane?
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane has a molecular weight of 369.59 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane is sourced from PubChem (CID 144985857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).