6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C13H15BrN2O — CID 115405137

IUPAC6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1c(Br)ccc2nc(C(C)(C)C)c(C=O)n12
InChIInChI=1S/C13H15BrN2O/c1-8-9(14)5-6-11-15-12(13(2,3)4)10(7-17)16(8)11/h5-7H,1-4H3
InChIKeyMWRZTVBQZVJKCH-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.52
Rot. Bonds1

About 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 115405137) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID115405137
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1c(Br)ccc2nc(C(C)(C)C)c(C=O)n12
InChIInChI=1S/C13H15BrN2O/c1-8-9(14)5-6-11-15-12(13(2,3)4)10(7-17)16(8)11/h5-7H,1-4H3
InChIKeyMWRZTVBQZVJKCH-UHFFFAOYSA-N
XLogP3.52
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 115405137) is 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1c(Br)ccc2nc(C(C)(C)C)c(C=O)n12.
What is the InChIKey of 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is MWRZTVBQZVJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-9(14)5-6-11-15-12(13(2,3)4)10(7-17)16(8)11/h5-7H,1-4H3.
What are the key properties of 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 295.18 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 115405137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).