7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde

C8H5IN2O — CID 167725185

IUPAC7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnn2c(I)cccc12
InChIInChI=1S/C8H5IN2O/c9-8-3-1-2-7-6(5-12)4-10-11(7)8/h1-5H
InChIKeyIHOCVIPIUBLARP-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.75
Rot. Bonds1

About 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde

7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 167725185) has the molecular formula C8H5IN2O and a molecular weight of 272.05 g/mol. Its IUPAC name is 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID167725185
Molecular FormulaC8H5IN2O
Molecular Weight272.05 g/mol
Exact Mass271.94
IUPAC Name7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnn2c(I)cccc12
InChIInChI=1S/C8H5IN2O/c9-8-3-1-2-7-6(5-12)4-10-11(7)8/h1-5H
InChIKeyIHOCVIPIUBLARP-UHFFFAOYSA-N
XLogP1.75
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.75
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 167725185) is 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde is O=Cc1cnn2c(I)cccc12.
What is the InChIKey of 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is IHOCVIPIUBLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O/c9-8-3-1-2-7-6(5-12)4-10-11(7)8/h1-5H.
What are the key properties of 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde?
7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 272.05 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 167725185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).