3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine

C18H12N4O4 — CID 51112669

IUPAC3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(Oc2ccc(Oc3ccccn3)cc2)nc2ccccn12
InChIInChI=1S/C18H12N4O4/c23-22(24)18-17(20-15-5-2-4-12-21(15)18)26-14-9-7-13(8-10-14)25-16-6-1-3-11-19-16/h1-12H
InChIKeyGTRWTAXCXOSDTQ-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.22
Rot. Bonds5

About 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine

3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine (PubChem CID 51112669) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine
PubChem CID51112669
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC Name3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(Oc2ccc(Oc3ccccn3)cc2)nc2ccccn12
InChIInChI=1S/C18H12N4O4/c23-22(24)18-17(20-15-5-2-4-12-21(15)18)26-14-9-7-13(8-10-14)25-16-6-1-3-11-19-16/h1-12H
InChIKeyGTRWTAXCXOSDTQ-UHFFFAOYSA-N
XLogP4.22
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine (CID 51112669) is 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine is O=[N+]([O-])c1c(Oc2ccc(Oc3ccccn3)cc2)nc2ccccn12.
What is the InChIKey of 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine?
The InChIKey is GTRWTAXCXOSDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4/c23-22(24)18-17(20-15-5-2-4-12-21(15)18)26-14-9-7-13(8-10-14)25-16-6-1-3-11-19-16/h1-12H.
What are the key properties of 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine?
3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine has a molecular weight of 348.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(4-pyridin-2-yloxyphenoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51112669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).