2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C28H18Cl2N4O2 — CID 139077887

IUPAC2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.O=Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/2C14H9ClN2O/c2*15-11-6-4-10(5-7-11)14-12(9-18)17-8-2-1-3-13(17)16-14/h2*1-9H
InChIKeyPLUOYUHKLURHBN-UHFFFAOYSA-N
MW513.38 g/mol
LogP6.93
Rot. Bonds4

About 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 139077887) has the molecular formula C28H18Cl2N4O2 and a molecular weight of 513.38 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID139077887
Molecular FormulaC28H18Cl2N4O2
Molecular Weight513.38 g/mol
Exact Mass512.08
IUPAC Name2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.O=Cc1c(-c2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/2C14H9ClN2O/c2*15-11-6-4-10(5-7-11)14-12(9-18)17-8-2-1-3-13(17)16-14/h2*1-9H
InChIKeyPLUOYUHKLURHBN-UHFFFAOYSA-N
XLogP6.93
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.38
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 139077887) is 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.O=Cc1c(-c2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is PLUOYUHKLURHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9ClN2O/c2*15-11-6-4-10(5-7-11)14-12(9-18)17-8-2-1-3-13(17)16-14/h2*1-9H.
What are the key properties of 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 513.38 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 139077887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).