2-(3-nitrophenyl)imidazo[1,2-a]pyridine

C13H9N3O2 — CID 617391

IUPAC2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H
InChIKeySPUPFENARGKGHC-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.91
Rot. Bonds2

About 2-(3-nitrophenyl)imidazo[1,2-a]pyridine

2-(3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 617391) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID617391
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2cn3ccccc3n2)c1
InChIInChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H
InChIKeySPUPFENARGKGHC-UHFFFAOYSA-N
XLogP2.91
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.91
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-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine (CID 617391) is 2-(3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-nitrophenyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1cccc(-c2cn3ccccc3n2)c1.
What is the InChIKey of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is SPUPFENARGKGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H.
What are the key properties of 2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
2-(3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 239.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 617391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).