(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

C23H14F3N3O6 — CID 108673748

IUPAC(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(c2ccncc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H14F3N3O6/c24-23(25,26)35-17-6-4-15(5-7-17)28-19(13-8-10-27-11-9-13)18(21(31)22(28)32)20(30)14-2-1-3-16(12-14)29(33)34/h1-12,19,30H/b20-18-
InChIKeyBXSDUTHYIVCILO-ZZEZOPTASA-N
MW485.37 g/mol
LogP4.51
Rot. Bonds5

About (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (PubChem CID 108673748) has the molecular formula C23H14F3N3O6 and a molecular weight of 485.37 g/mol. Its IUPAC name is (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
PubChem CID108673748
Molecular FormulaC23H14F3N3O6
Molecular Weight485.37 g/mol
Exact Mass485.08
IUPAC Name(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(c2ccncc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H14F3N3O6/c24-23(25,26)35-17-6-4-15(5-7-17)28-19(13-8-10-27-11-9-13)18(21(31)22(28)32)20(30)14-2-1-3-16(12-14)29(33)34/h1-12,19,30H/b20-18-
InChIKeyBXSDUTHYIVCILO-ZZEZOPTASA-N
XLogP4.51
TPSA122.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(4-chloro-3-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108673715
(4Z)-1-(4-ethylphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108575755
(4Z)-1-(4-tert-butylphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108591098
(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(4-phenylmethoxyphenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108724246
(4Z)-1-(4-ethylphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629220
(4E)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108708001
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108673649
(4Z)-5-(3-ethoxyphenyl)-1-(4-ethoxyphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108675922
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711813
(4Z)-4-[hydroxy-[4-(2-methylpropoxy)phenyl]methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108673760
(4E)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-(3-methoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108698638
methyl 3-[(3Z)-2-(4-tert-butylphenyl)-3-[hydroxy-(3-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
CID 108718021

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione (CID 108673748) is (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is O=C1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(c2ccncc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
The InChIKey is BXSDUTHYIVCILO-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H14F3N3O6/c24-23(25,26)35-17-6-4-15(5-7-17)28-19(13-8-10-27-11-9-13)18(21(31)22(28)32)20(30)14-2-1-3-16(12-14)29(33)34/h1-12,19,30H/b20-18-.
What are the key properties of (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione?
(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione has a molecular weight of 485.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 108673748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).