5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine

C₁₃H₉Cl₂N₃O — CID 103977363

About 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine

5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 103977363) has the molecular formula C₁₃H₉Cl₂N₃O and a molecular weight of 294.14 g/mol. Its IUPAC name is 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 103977363
• Molecular Formula: C₁₃H₉Cl₂N₃O
• Molecular Weight: 294.14 g/mol
• Exact Mass: 293.01
• IUPAC Name: 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine
• SMILES: Clc1cc2[nH]c(COc3ccccc3)nc2nc1Cl
• InChI: InChI=1S/C13H9Cl2N3O/c14-9-6-10-13(18-12(9)15)17-11(16-10)7-19-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
• InChIKey: UXRBNWOQDPHMNE-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.14
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine (CID 103977363) is 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine is Clc1cc2[nH]c(COc3ccccc3)nc2nc1Cl.

What is the InChIKey of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is UXRBNWOQDPHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-9-6-10-13(18-12(9)15)17-11(16-10)7-19-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18).

What are the key properties of 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine?

5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 294.14 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 103977363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103977363 — identifiers, structure, computed properties (public domain)

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