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

C8H5ClN2O — CID 139488260

IUPAC7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1ncn2ccc(Cl)cc12
InChIInChI=1S/C8H5ClN2O/c9-6-1-2-11-5-10-7(4-12)8(11)3-6/h1-5H
InChIKeyRBGLGNWASACDMZ-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.80
Rot. Bonds1

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

7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 139488260) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID139488260
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1ncn2ccc(Cl)cc12
InChIInChI=1S/C8H5ClN2O/c9-6-1-2-11-5-10-7(4-12)8(11)3-6/h1-5H
InChIKeyRBGLGNWASACDMZ-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 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde (CID 139488260) is 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1ncn2ccc(Cl)cc12.
What is the InChIKey of 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is RBGLGNWASACDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-6-1-2-11-5-10-7(4-12)8(11)3-6/h1-5H.
What are the key properties of 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde?
7-chloroimidazo[1,5-a]pyridine-1-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 7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 139488260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).