3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine

C13H8N4O4 — CID 23316954

IUPAC3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccn3c([N+](=O)[O-])cnc23)cc1
InChIInChI=1S/C13H8N4O4/c18-16(19)10-5-3-9(4-6-10)11-2-1-7-15-12(17(20)21)8-14-13(11)15/h1-8H
InChIKeyXNYNOICPAYZQPW-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.82
Rot. Bonds3

About 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine

3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 23316954) has the molecular formula C13H8N4O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID23316954
Molecular FormulaC13H8N4O4
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cccn3c([N+](=O)[O-])cnc23)cc1
InChIInChI=1S/C13H8N4O4/c18-16(19)10-5-3-9(4-6-10)11-2-1-7-15-12(17(20)21)8-14-13(11)15/h1-8H
InChIKeyXNYNOICPAYZQPW-UHFFFAOYSA-N
XLogP2.82
TPSA103.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.82
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-8-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine (CID 23316954) is 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc(-c2cccn3c([N+](=O)[O-])cnc23)cc1.
What is the InChIKey of 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is XNYNOICPAYZQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4/c18-16(19)10-5-3-9(4-6-10)11-2-1-7-15-12(17(20)21)8-14-13(11)15/h1-8H.
What are the key properties of 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine?
3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 284.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-8-(4-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 23316954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).