6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde

C8H5ClN2O — CID 122609401

IUPAC6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1c(Cl)ccc2cncn12
InChIInChI=1S/C8H5ClN2O/c9-7-2-1-6-3-10-5-11(6)8(7)4-12/h1-5H
InChIKeyZGONBEYFIRPIIU-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.80
Rot. Bonds1

About 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde

6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 122609401) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID122609401
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1c(Cl)ccc2cncn12
InChIInChI=1S/C8H5ClN2O/c9-7-2-1-6-3-10-5-11(6)8(7)4-12/h1-5H
InChIKeyZGONBEYFIRPIIU-UHFFFAOYSA-N
XLogP1.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.80
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 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde (CID 122609401) is 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1c(Cl)ccc2cncn12.
What is the InChIKey of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is ZGONBEYFIRPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-7-2-1-6-3-10-5-11(6)8(7)4-12/h1-5H.
What are the key properties of 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde?
6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 180.59 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroimidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 122609401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).