2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine

C13H8BrN3O2 — CID 5260643

IUPAC2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C13H8BrN3O2/c14-10-5-3-9(4-6-10)11-8-16-7-1-2-12(17(18)19)13(16)15-11/h1-8H
InChIKeyKAUMSLOSTWQGCC-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine

2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine (PubChem CID 5260643) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine
PubChem CID5260643
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C13H8BrN3O2/c14-10-5-3-9(4-6-10)11-8-16-7-1-2-12(17(18)19)13(16)15-11/h1-8H
InChIKeyKAUMSLOSTWQGCC-UHFFFAOYSA-N
XLogP3.67
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine (CID 5260643) is 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1cccn2cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine?
The InChIKey is KAUMSLOSTWQGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-10-5-3-9(4-6-10)11-8-16-7-1-2-12(17(18)19)13(16)15-11/h1-8H.
What are the key properties of 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine?
2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine has a molecular weight of 318.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 5260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).