5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine

C12H6Cl3N3 — CID 23037406

IUPAC5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3nc(Cl)cc(Cl)c3[nH]2)cc1
InChIInChI=1S/C12H6Cl3N3/c13-7-3-1-6(2-4-7)11-17-10-8(14)5-9(15)16-12(10)18-11/h1-5H,(H,16,17,18)
InChIKeyMXLKJZVMOYEOAI-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.59
Rot. Bonds1

About 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine

5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23037406) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID23037406
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3nc(Cl)cc(Cl)c3[nH]2)cc1
InChIInChI=1S/C12H6Cl3N3/c13-7-3-1-6(2-4-7)11-17-10-8(14)5-9(15)16-12(10)18-11/h1-5H,(H,16,17,18)
InChIKeyMXLKJZVMOYEOAI-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine (CID 23037406) is 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine is Clc1ccc(-c2nc3nc(Cl)cc(Cl)c3[nH]2)cc1.
What is the InChIKey of 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is MXLKJZVMOYEOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-7-3-1-6(2-4-7)11-17-10-8(14)5-9(15)16-12(10)18-11/h1-5H,(H,16,17,18).
What are the key properties of 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine?
5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 298.56 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-(4-chlorophenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23037406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).