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

C13H15BrN2O2 — CID 118598749

IUPAC6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C13H15BrN2O2/c1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,15,17)
InChIKeyVYTTWWANZUYOKU-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.28
Rot. Bonds

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

6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118598749) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118598749
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C13H15BrN2O2/c1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,15,17)
InChIKeyVYTTWWANZUYOKU-UHFFFAOYSA-N
XLogP2.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118598749) is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is VYTTWWANZUYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8-7-9(14)12(18)16-10(8)11(17)15-13(16)5-3-2-4-6-13/h7H,2-6H2,1H3,(H,15,17).
What are the key properties of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 311.18 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).