3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine

C18H12N4O3 — CID 166214220

IUPAC3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(Oc2cncc(-c3ccccc3)c2)nc2ccccn12
InChIInChI=1S/C18H12N4O3/c23-22(24)18-17(20-16-8-4-5-9-21(16)18)25-15-10-14(11-19-12-15)13-6-2-1-3-7-13/h1-12H
InChIKeyADJYXDQTZCLJJS-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.10
Rot. Bonds4

About 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine

3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine (PubChem CID 166214220) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine
PubChem CID166214220
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(Oc2cncc(-c3ccccc3)c2)nc2ccccn12
InChIInChI=1S/C18H12N4O3/c23-22(24)18-17(20-16-8-4-5-9-21(16)18)25-15-10-14(11-19-12-15)13-6-2-1-3-7-13/h1-12H
InChIKeyADJYXDQTZCLJJS-UHFFFAOYSA-N
XLogP4.10
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine?
The IUPAC name of 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine (CID 166214220) is 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine is O=[N+]([O-])c1c(Oc2cncc(-c3ccccc3)c2)nc2ccccn12.
What is the InChIKey of 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine?
The InChIKey is ADJYXDQTZCLJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c23-22(24)18-17(20-16-8-4-5-9-21(16)18)25-15-10-14(11-19-12-15)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine?
3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine has a molecular weight of 332.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[(5-phenyl-3-pyridinyl)oxy]imidazo[1,2-a]pyridine is sourced from PubChem (CID 166214220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).