2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C12H6Cl2N2OS — CID 54771597

IUPAC2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)nc2ccccn12
InChIInChI=1S/C12H6Cl2N2OS/c13-9-5-7(12(14)18-9)11-8(6-17)16-4-2-1-3-10(16)15-11/h1-6H
InChIKeyOXEUJSBXDHPWLQ-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.18
Rot. Bonds2

About 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 54771597) has the molecular formula C12H6Cl2N2OS and a molecular weight of 297.17 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID54771597
Molecular FormulaC12H6Cl2N2OS
Molecular Weight297.17 g/mol
Exact Mass295.96
IUPAC Name2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2cc(Cl)sc2Cl)nc2ccccn12
InChIInChI=1S/C12H6Cl2N2OS/c13-9-5-7(12(14)18-9)11-8(6-17)16-4-2-1-3-10(16)15-11/h1-6H
InChIKeyOXEUJSBXDHPWLQ-UHFFFAOYSA-N
XLogP4.18
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-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 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 54771597) is 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2cc(Cl)sc2Cl)nc2ccccn12.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is OXEUJSBXDHPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS/c13-9-5-7(12(14)18-9)11-8(6-17)16-4-2-1-3-10(16)15-11/h1-6H.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 297.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 54771597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).