8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde

C8H5BrN2O — CID 58449869

IUPAC8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnc2c(Br)cccn12
InChIInChI=1S/C8H5BrN2O/c9-7-2-1-3-11-6(5-12)4-10-8(7)11/h1-5H
InChIKeyUPVVPSKLFGVMEI-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.91
Rot. Bonds1

About 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde

8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 58449869) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID58449869
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnc2c(Br)cccn12
InChIInChI=1S/C8H5BrN2O/c9-7-2-1-3-11-6(5-12)4-10-8(7)11/h1-5H
InChIKeyUPVVPSKLFGVMEI-UHFFFAOYSA-N
XLogP1.91
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648
2-Chloroimidazo(1,2-a)pyridine-3-carbaldehyde
CID 2064134
2-Methylimidazo(1,2-a)pyridine-3-carboxaldehyde
CID 2759859
6-Bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872599
N,N-diethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 1488742
6-Bromo-7-methylpyrido[1,2-a]benzimidazole-8,9-dione
CID 76315945
6,7-Dibromopyrido[1,2-a]benzimidazole-8,9-dione
CID 76319673
6-Bromo-7-propylpyrido[1,2-a]benzimidazole-8,9-dione
CID 76319674
6-Bromo-7-ethylpyrido[1,2-a]benzimidazole-8,9-dione
CID 76323287
Imidazo(1,2-a)pyridine-3-carboxamide
CID 80322

Frequently Asked Questions

What is the IUPAC name of 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde (CID 58449869) is 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1cnc2c(Br)cccn12.
What is the InChIKey of 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is UPVVPSKLFGVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-7-2-1-3-11-6(5-12)4-10-8(7)11/h1-5H.
What are the key properties of 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde?
8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 225.05 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 58449869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).