6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C13H15BrN2O — CID 115405135

IUPAC6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2ccc(Br)c(C)n2c1C=O
InChIInChI=1S/C13H15BrN2O/c1-4-8(2)13-11(7-17)16-9(3)10(14)5-6-12(16)15-13/h5-8H,4H2,1-3H3
InChIKeyFGFMQGCWDNDSJL-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.73
Rot. Bonds3

About 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde

6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 115405135) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID115405135
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCCC(C)c1nc2ccc(Br)c(C)n2c1C=O
InChIInChI=1S/C13H15BrN2O/c1-4-8(2)13-11(7-17)16-9(3)10(14)5-6-12(16)15-13/h5-8H,4H2,1-3H3
InChIKeyFGFMQGCWDNDSJL-UHFFFAOYSA-N
XLogP3.73
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.73
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-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 115405135) is 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is CCC(C)c1nc2ccc(Br)c(C)n2c1C=O.
What is the InChIKey of 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is FGFMQGCWDNDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-4-8(2)13-11(7-17)16-9(3)10(14)5-6-12(16)15-13/h5-8H,4H2,1-3H3.
What are the key properties of 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 295.18 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-butan-2-yl-5-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 115405135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).