6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

C9H8BrClN2O2 — CID 118598687

IUPAC6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C9H8BrClN2O2/c1-9(2)12-7(14)6-5(11)3-4(10)8(15)13(6)9/h3H,1-2H3,(H,12,14)
InChIKeyNGRBQTUROXKPKD-UHFFFAOYSA-N
MW291.53 g/mol
LogP1.70
Rot. Bonds

About 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione

6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598687) has the molecular formula C9H8BrClN2O2 and a molecular weight of 291.53 g/mol. Its IUPAC name is 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598687
Molecular FormulaC9H8BrClN2O2
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Name6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESCC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C9H8BrClN2O2/c1-9(2)12-7(14)6-5(11)3-4(10)8(15)13(6)9/h3H,1-2H3,(H,12,14)
InChIKeyNGRBQTUROXKPKD-UHFFFAOYSA-N
XLogP1.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598687) is 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is CC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is NGRBQTUROXKPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O2/c1-9(2)12-7(14)6-5(11)3-4(10)8(15)13(6)9/h3H,1-2H3,(H,12,14).
What are the key properties of 6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 291.53 g/mol, XLogP of 1.70, 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-3,3-dimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).