7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde

C8H5BrN2O — CID 83839570

IUPAC7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1ncn2ccc(Br)cc12
InChIInChI=1S/C8H5BrN2O/c9-6-1-2-11-5-10-7(4-12)8(11)3-6/h1-5H
InChIKeyXSWCQGIQZQGOIA-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.91
Rot. Bonds1

About 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde

7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 83839570) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID83839570
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1ncn2ccc(Br)cc12
InChIInChI=1S/C8H5BrN2O/c9-6-1-2-11-5-10-7(4-12)8(11)3-6/h1-5H
InChIKeyXSWCQGIQZQGOIA-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 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde (CID 83839570) is 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1ncn2ccc(Br)cc12.
What is the InChIKey of 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is XSWCQGIQZQGOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-6-1-2-11-5-10-7(4-12)8(11)3-6/h1-5H.
What are the key properties of 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde?
7-bromoimidazo[1,5-a]pyridine-1-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 7-bromoimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 83839570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).