4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine

C11H8N2O3 — CID 131848791

IUPAC4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
SMILESO=[N+]([O-])c1ccc(C=Cc2ccncc2)o1
InChIInChI=1S/C11H8N2O3/c14-13(15)11-4-3-10(16-11)2-1-9-5-7-12-8-6-9/h1-8H
InChIKeyZBZPNMAPVWRIJA-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.75
Rot. Bonds3

About 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine

4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine (PubChem CID 131848791) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
PubChem CID131848791
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
SMILESO=[N+]([O-])c1ccc(C=Cc2ccncc2)o1
InChIInChI=1S/C11H8N2O3/c14-13(15)11-4-3-10(16-11)2-1-9-5-7-12-8-6-9/h1-8H
InChIKeyZBZPNMAPVWRIJA-UHFFFAOYSA-N
XLogP2.75
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938
4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine
CID 5345969
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
5-[2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
CID 86023507
4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
CID 121015224
2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1H-imidazole
CID 23274017
(3E)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-3-(pyridin-4-ylmethylidene)urea
CID 10452903
3-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-amine
CID 23274283
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 131858262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine?
The IUPAC name of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine (CID 131848791) is 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine.
What is the SMILES notation for 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine?
The canonical SMILES for 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine is O=[N+]([O-])c1ccc(C=Cc2ccncc2)o1.
What is the InChIKey of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine?
The InChIKey is ZBZPNMAPVWRIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-13(15)11-4-3-10(16-11)2-1-9-5-7-12-8-6-9/h1-8H.
What are the key properties of 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine?
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine has a molecular weight of 216.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine is sourced from PubChem (CID 131848791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).