4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine

C17H12N2O3 — CID 5345969

IUPAC4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=C/c3ccncc3)o2)cc1
InChIInChI=1S/C17H12N2O3/c20-19(21)15-4-2-14(3-5-15)17-8-7-16(22-17)6-1-13-9-11-18-12-10-13/h1-12H/b6-1+
InChIKeyHVUPIHDPBOSAED-LZCJLJQNSA-N
MW292.29 g/mol
LogP4.42
Rot. Bonds4

About 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine

4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine (PubChem CID 5345969) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine
PubChem CID5345969
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=C/c3ccncc3)o2)cc1
InChIInChI=1S/C17H12N2O3/c20-19(21)15-4-2-14(3-5-15)17-8-7-16(22-17)6-1-13-9-11-18-12-10-13/h1-12H/b6-1+
InChIKeyHVUPIHDPBOSAED-LZCJLJQNSA-N
XLogP4.42
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.42
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-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
4-methyl-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1,3-thiazole
CID 9037918
3-(4-nitrophenyl)-2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]quinazolin-4-one
CID 177456358
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
4-[(Z)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 46502217
4-nitropyridine;hydrate
CID 132647818
1-[5-(4-nitrophenyl)furan-2-yl]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methanimine
CID 5049071
(E)-1-(2-nitrophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19561002
(Z)-3-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839854
4-[2-[5-(4-aminophenyl)furan-2-yl]ethenyl]aniline
CID 154398154
(E)-1-(4-methoxyphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 5340118

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine (CID 5345969) is 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine is O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3ccncc3)o2)cc1.
What is the InChIKey of 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine?
The InChIKey is HVUPIHDPBOSAED-LZCJLJQNSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-19(21)15-4-2-14(3-5-15)17-8-7-16(22-17)6-1-13-9-11-18-12-10-13/h1-12H/b6-1+.
What are the key properties of 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine?
4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine has a molecular weight of 292.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]pyridine is sourced from PubChem (CID 5345969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).