2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine

C15H12N4O3 — CID 21495950

IUPAC2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine
SMILESO=[N+]([O-])c1ccc(/C=C/c2nccn2Cc2ccccn2)o1
InChIInChI=1S/C15H12N4O3/c20-19(21)15-7-5-13(22-15)4-6-14-17-9-10-18(14)11-12-3-1-2-8-16-12/h1-10H,11H2/b6-4+
InChIKeyRNLFFTNSAMDHCD-GQCTYLIASA-N
MW296.29 g/mol
LogP3.00
Rot. Bonds5

About 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine

2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine (PubChem CID 21495950) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine
PubChem CID21495950
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine
SMILESO=[N+]([O-])c1ccc(/C=C/c2nccn2Cc2ccccn2)o1
InChIInChI=1S/C15H12N4O3/c20-19(21)15-7-5-13(22-15)4-6-14-17-9-10-18(14)11-12-3-1-2-8-16-12/h1-10H,11H2/b6-4+
InChIKeyRNLFFTNSAMDHCD-GQCTYLIASA-N
XLogP3.00
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.00
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 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine (CID 21495950) is 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine is O=[N+]([O-])c1ccc(/C=C/c2nccn2Cc2ccccn2)o1.
What is the InChIKey of 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine?
The InChIKey is RNLFFTNSAMDHCD-GQCTYLIASA-N. The full InChI is InChI=1S/C15H12N4O3/c20-19(21)15-7-5-13(22-15)4-6-14-17-9-10-18(14)11-12-3-1-2-8-16-12/h1-10H,11H2/b6-4+.
What are the key properties of 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine?
2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine has a molecular weight of 296.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 21495950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).