6-nitroimidazo[1,2-a]pyridine

C7H5N3O2 — CID 595954

IUPAC6-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nccn2c1
InChIInChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-8-3-4-9(7)5-6/h1-5H
InChIKeyRXZZQEFTZIHXRI-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.24
Rot. Bonds1

About 6-nitroimidazo[1,2-a]pyridine

6-nitroimidazo[1,2-a]pyridine (PubChem CID 595954) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-nitroimidazo[1,2-a]pyridine
PubChem CID595954
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name6-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nccn2c1
InChIInChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-8-3-4-9(7)5-6/h1-5H
InChIKeyRXZZQEFTZIHXRI-UHFFFAOYSA-N
XLogP1.24
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.24
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'}

Analyze 6-nitroimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 6-nitroimidazo[1,2-a]pyridine (CID 595954) is 6-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc2nccn2c1.
What is the InChIKey of 6-nitroimidazo[1,2-a]pyridine?
The InChIKey is RXZZQEFTZIHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-8-3-4-9(7)5-6/h1-5H.
What are the key properties of 6-nitroimidazo[1,2-a]pyridine?
6-nitroimidazo[1,2-a]pyridine has a molecular weight of 163.14 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 595954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).