5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile

C20H14ClN5O5 — CID 137383275

IUPAC5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(Oc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H14ClN5O5/c1-11-15(10-22)19(27)25(2)20(28)18(11)24-23-16-8-7-14(9-17(16)26(29)30)31-13-5-3-12(21)4-6-13/h3-9,27H,1-2H3/b24-23+
InChIKeyXPNIPUWYYJTCTQ-WCWDXBQESA-N
MW439.82 g/mol
LogP5.04
Rot. Bonds5

About 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile

5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (PubChem CID 137383275) has the molecular formula C20H14ClN5O5 and a molecular weight of 439.82 g/mol. Its IUPAC name is 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
PubChem CID137383275
Molecular FormulaC20H14ClN5O5
Molecular Weight439.82 g/mol
Exact Mass439.07
IUPAC Name5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(Oc2ccc(Cl)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H14ClN5O5/c1-11-15(10-22)19(27)25(2)20(28)18(11)24-23-16-8-7-14(9-17(16)26(29)30)31-13-5-3-12(21)4-6-13/h3-9,27H,1-2H3/b24-23+
InChIKeyXPNIPUWYYJTCTQ-WCWDXBQESA-N
XLogP5.04
TPSA143.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile 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

5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835167
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-1-(2-methoxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835241
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135790064
5-[(2-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835401
3-[(4-ethoxy-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4,5-dimethylpyridin-2-one;5-[(4-ethoxy-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;1-ethyl-6-hydroxy-4,5-dimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one;1-ethyl-6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-4,5-dimethylpyridin-2-one;6-hydroxy-3-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4,5-trimethylpyridin-2-one;6-hydroxy-1,4,5-trimethyl-3-[(2-nitro-4-phenylmethoxyphenyl)diazenyl]pyridin-2-one
CID 165027630
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carbonitrile
CID 135835239
5-[(2,4-dinitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135835249
2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835001
5-[(2-chloro-4-nitrophenyl)diazenyl]-2-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835942
5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835156
5-[(2,4-dichlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835150
1-hexyl-2-hydroxy-4-methyl-5-[(2-methyl-5-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835884

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (CID 137383275) is 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(Oc2ccc(Cl)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The InChIKey is XPNIPUWYYJTCTQ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H14ClN5O5/c1-11-15(10-22)19(27)25(2)20(28)18(11)24-23-16-8-7-14(9-17(16)26(29)30)31-13-5-3-12(21)4-6-13/h3-9,27H,1-2H3/b24-23+.
What are the key properties of 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile has a molecular weight of 439.82 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-chlorophenoxy)-2-nitrophenyl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 137383275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).