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

C10H8BrClN2O2 — CID 118598661

IUPAC6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESC=CC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C10H8BrClN2O2/c1-3-10(2)13-8(15)7-6(12)4-5(11)9(16)14(7)10/h3-4H,1H2,2H3,(H,13,15)
InChIKeyYEBQHQDCHZBROK-UHFFFAOYSA-N
MW303.54 g/mol
LogP1.87
Rot. Bonds1

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

6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione (PubChem CID 118598661) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione
PubChem CID118598661
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione
SMILESC=CC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21
InChIInChI=1S/C10H8BrClN2O2/c1-3-10(2)13-8(15)7-6(12)4-5(11)9(16)14(7)10/h3-4H,1H2,2H3,(H,13,15)
InChIKeyYEBQHQDCHZBROK-UHFFFAOYSA-N
XLogP1.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The IUPAC name of 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione (CID 118598661) is 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione.
What is the SMILES notation for 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The canonical SMILES for 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione is C=CC1(C)NC(=O)c2c(Cl)cc(Br)c(=O)n21.
What is the InChIKey of 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
The InChIKey is YEBQHQDCHZBROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-3-10(2)13-8(15)7-6(12)4-5(11)9(16)14(7)10/h3-4H,1H2,2H3,(H,13,15).
What are the key properties of 6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione?
6-bromo-8-chloro-3-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione has a molecular weight of 303.54 g/mol, XLogP of 1.87, 1 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-ethenyl-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione is sourced from PubChem (CID 118598661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).