2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine

C18H11BrN4O3 — CID 135393795

IUPAC2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2cnc3nc(-c4ccccc4Br)[nH]c3c2)cc1
InChIInChI=1S/C18H11BrN4O3/c19-15-4-2-1-3-14(15)17-21-16-9-13(10-20-18(16)22-17)26-12-7-5-11(6-8-12)23(24)25/h1-10H,(H,20,21,22)
InChIKeyNRASMLLODURBEU-UHFFFAOYSA-N
MW411.22 g/mol
LogP5.09
Rot. Bonds4

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

2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine (PubChem CID 135393795) has the molecular formula C18H11BrN4O3 and a molecular weight of 411.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine
PubChem CID135393795
Molecular FormulaC18H11BrN4O3
Molecular Weight411.22 g/mol
Exact Mass410.00
IUPAC Name2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2cnc3nc(-c4ccccc4Br)[nH]c3c2)cc1
InChIInChI=1S/C18H11BrN4O3/c19-15-4-2-1-3-14(15)17-21-16-9-13(10-20-18(16)22-17)26-12-7-5-11(6-8-12)23(24)25/h1-10H,(H,20,21,22)
InChIKeyNRASMLLODURBEU-UHFFFAOYSA-N
XLogP5.09
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine (CID 135393795) is 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine is O=[N+]([O-])c1ccc(Oc2cnc3nc(-c4ccccc4Br)[nH]c3c2)cc1.
What is the InChIKey of 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine?
The InChIKey is NRASMLLODURBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN4O3/c19-15-4-2-1-3-14(15)17-21-16-9-13(10-20-18(16)22-17)26-12-7-5-11(6-8-12)23(24)25/h1-10H,(H,20,21,22).
What are the key properties of 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine?
2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine has a molecular weight of 411.22 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 135393795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).