6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

C11H10BrClN2O2 — CID 139387352

IUPAC6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESCN1C(=O)c2c(Cl)cc(Br)c(=O)n2C12CCC2
InChIInChI=1S/C11H10BrClN2O2/c1-14-10(17)8-7(13)5-6(12)9(16)15(8)11(14)3-2-4-11/h5H,2-4H2,1H3
InChIKeyNKEBELFQKHSZPN-UHFFFAOYSA-N
MW317.57 g/mol
LogP2.19
Rot. Bonds

About 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (PubChem CID 139387352) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.

Molecular Properties

Compound Name6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
PubChem CID139387352
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESCN1C(=O)c2c(Cl)cc(Br)c(=O)n2C12CCC2
InChIInChI=1S/C11H10BrClN2O2/c1-14-10(17)8-7(13)5-6(12)9(16)15(8)11(14)3-2-4-11/h5H,2-4H2,1H3
InChIKeyNKEBELFQKHSZPN-UHFFFAOYSA-N
XLogP2.19
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione with MolForge

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Related Compounds

6-bromo-8-chloro-2,3-dimethyl-3-phenylimidazo[1,5-a]pyridine-1,5-dione
CID 144985885
6'-bromo-8'-chloro-2'-methylspiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;tert-butyl N-[(E)-3-aminoprop-1-enyl]carbamate
CID 144985930
6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid
CID 146257755
6-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione;ethane
CID 144985857
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-bromo-8-chloro-1',1'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,3'-cyclobutane]-1,5-dione
CID 118598915
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
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
7-bromo-5-chloro-1-methylspiro[3H-quinazoline-2,1'-cyclobutane]-4-one
CID 146650960
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841

Frequently Asked Questions

What is the IUPAC name of 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The IUPAC name of 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (CID 139387352) is 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.
What is the SMILES notation for 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The canonical SMILES for 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is CN1C(=O)c2c(Cl)cc(Br)c(=O)n2C12CCC2.
What is the InChIKey of 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The InChIKey is NKEBELFQKHSZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-14-10(17)8-7(13)5-6(12)9(16)15(8)11(14)3-2-4-11/h5H,2-4H2,1H3.
What are the key properties of 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione has a molecular weight of 317.57 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is sourced from PubChem (CID 139387352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).