2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

C15H11BrN2O2 — CID 83140955

IUPAC2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cc(Oc2nc3ccccn3c2C=O)ccc1Br
InChIInChI=1S/C15H11BrN2O2/c1-10-8-11(5-6-12(10)16)20-15-13(9-19)18-7-3-2-4-14(18)17-15/h2-9H,1H3
InChIKeyXGWRWVGTYWKJGO-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.01
Rot. Bonds3

About 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 83140955) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID83140955
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cc(Oc2nc3ccccn3c2C=O)ccc1Br
InChIInChI=1S/C15H11BrN2O2/c1-10-8-11(5-6-12(10)16)20-15-13(9-19)18-7-3-2-4-14(18)17-15/h2-9H,1H3
InChIKeyXGWRWVGTYWKJGO-UHFFFAOYSA-N
XLogP4.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 83140955) is 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is Cc1cc(Oc2nc3ccccn3c2C=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is XGWRWVGTYWKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-10-8-11(5-6-12(10)16)20-15-13(9-19)18-7-3-2-4-14(18)17-15/h2-9H,1H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 331.17 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83140955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).