5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde

C13H13BrN2O — CID 84743823

IUPAC5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C2CCCC2)n2c(Br)cccc12
InChIInChI=1S/C13H13BrN2O/c14-12-7-3-6-11-10(8-17)15-13(16(11)12)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
InChIKeyZPXWAUDVMUKGHJ-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde

5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84743823) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84743823
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(C2CCCC2)n2c(Br)cccc12
InChIInChI=1S/C13H13BrN2O/c14-12-7-3-6-11-10(8-17)15-13(16(11)12)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
InChIKeyZPXWAUDVMUKGHJ-UHFFFAOYSA-N
XLogP3.57
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 84743823) is 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(C2CCCC2)n2c(Br)cccc12.
What is the InChIKey of 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is ZPXWAUDVMUKGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-7-3-6-11-10(8-17)15-13(16(11)12)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2.
What are the key properties of 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde?
5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 293.16 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclopentylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84743823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).