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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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).