1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one

C14H13N3O4 — CID 135418700

IUPAC1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)c1
InChIInChI=1S/C14H13N3O4/c1-9-5-10(2)16(14(19)6-9)15-8-11-7-12(17(20)21)3-4-13(11)18/h3-8,18H,1-2H3/b15-8+
InChIKeyRJDBDQICTXNHKP-OVCLIPMQSA-N
MW287.28 g/mol
LogP1.96
Rot. Bonds3

About 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one

1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one (PubChem CID 135418700) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one
PubChem CID135418700
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)c1
InChIInChI=1S/C14H13N3O4/c1-9-5-10(2)16(14(19)6-9)15-8-11-7-12(17(20)21)3-4-13(11)18/h3-8,18H,1-2H3/b15-8+
InChIKeyRJDBDQICTXNHKP-OVCLIPMQSA-N
XLogP1.96
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_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

3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
N'-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
CID 135460591
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135650721
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinecarboximidamide
CID 135454394
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Phenol, 2-[[(2-methylphenyl)imino]methyl]-4-nitro-
CID 765699
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
2-[[(3-Nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274053
N'-{2-hydroxy-5-nitrobenzylidene}cyclohexanecarbohydrazide
CID 135401405

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one (CID 135418700) is 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one is Cc1cc(C)n(/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)c1.
What is the InChIKey of 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The InChIKey is RJDBDQICTXNHKP-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-5-10(2)16(14(19)6-9)15-8-11-7-12(17(20)21)3-4-13(11)18/h3-8,18H,1-2H3/b15-8+.
What are the key properties of 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one has a molecular weight of 287.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 135418700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).