1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one

C15H13N5O5 — CID 135608384

IUPAC1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(=O)n(CC)c1O
InChIInChI=1S/C15H13N5O5/c1-4-19-14(22)12(16-3)8(2)13(15(19)23)18-17-10-7-9(20(24)25)5-6-11(10)21/h5-7,21-22H,4H2,1-2H3/b18-17+
InChIKeyJDUBBSILPWPWQV-ISLYRVAYSA-N
MW343.30 g/mol
LogP3.46
Rot. Bonds4

About 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one

1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one (PubChem CID 135608384) has the molecular formula C15H13N5O5 and a molecular weight of 343.30 g/mol. Its IUPAC name is 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one
PubChem CID135608384
Molecular FormulaC15H13N5O5
Molecular Weight343.30 g/mol
Exact Mass343.09
IUPAC Name1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one
SMILES[C-]#[N+]c1c(C)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(=O)n(CC)c1O
InChIInChI=1S/C15H13N5O5/c1-4-19-14(22)12(16-3)8(2)13(15(19)23)18-17-10-7-9(20(24)25)5-6-11(10)21/h5-7,21-22H,4H2,1-2H3/b18-17+
InChIKeyJDUBBSILPWPWQV-ISLYRVAYSA-N
XLogP3.46
TPSA134.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-[[5-(ethenylideneamino)-2-hydroxyphenyl]diazenyl]-6-hydroxy-5-isocyano-4-methylpyridin-2-one
CID 176521668
1-hexyl-2-hydroxy-4-methyl-5-[(2-methyl-5-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835884
1-butyl-2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835667
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835239
5-tert-butyl-4-[(2-hydroxy-5-nitrophenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 135985786
1-ethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylpyridin-2-one
CID 137208165
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835241
5-[(2-bromophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835511
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835249
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol;iron
CID 167455353
1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-isocyano-4-methylpyridin-2-one;1-butyl-6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxopyridine-3-carbonitrile;cobalt;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3-dimethylindol-1-ium-2-yl]methylidene]-3,3-dimethylindole
CID 159280339

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one?
The IUPAC name of 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one (CID 135608384) is 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one is [C-]#[N+]c1c(C)c(/N=N/c2cc([N+](=O)[O-])ccc2O)c(=O)n(CC)c1O.
What is the InChIKey of 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one?
The InChIKey is JDUBBSILPWPWQV-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13N5O5/c1-4-19-14(22)12(16-3)8(2)13(15(19)23)18-17-10-7-9(20(24)25)5-6-11(10)21/h5-7,21-22H,4H2,1-2H3/b18-17+.
What are the key properties of 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one?
1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one has a molecular weight of 343.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-isocyano-4-methylpyridin-2-one is sourced from PubChem (CID 135608384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).