3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine

C12H8N4O3 — CID 174551117

IUPAC3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine
SMILESO=[N+]([O-])c1cc(-c2cn(-c3cccnc3)cn2)co1
InChIInChI=1S/C12H8N4O3/c17-16(18)12-4-9(7-19-12)11-6-15(8-14-11)10-2-1-3-13-5-10/h1-8H
InChIKeyWXSLIIMJDKHXHX-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.44
Rot. Bonds3

About 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine

3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine (PubChem CID 174551117) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine
PubChem CID174551117
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine
SMILESO=[N+]([O-])c1cc(-c2cn(-c3cccnc3)cn2)co1
InChIInChI=1S/C12H8N4O3/c17-16(18)12-4-9(7-19-12)11-6-15(8-14-11)10-2-1-3-13-5-10/h1-8H
InChIKeyWXSLIIMJDKHXHX-UHFFFAOYSA-N
XLogP2.44
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.44
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-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine?
The IUPAC name of 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine (CID 174551117) is 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine.
What is the SMILES notation for 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine?
The canonical SMILES for 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine is O=[N+]([O-])c1cc(-c2cn(-c3cccnc3)cn2)co1.
What is the InChIKey of 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine?
The InChIKey is WXSLIIMJDKHXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-16(18)12-4-9(7-19-12)11-6-15(8-14-11)10-2-1-3-13-5-10/h1-8H.
What are the key properties of 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine?
3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine has a molecular weight of 256.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-nitrofuran-3-yl)imidazol-1-yl]pyridine is sourced from PubChem (CID 174551117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).