5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C14H11ClN4O — CID 136677013

IUPAC5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H11ClN4O/c1-8-10(7-16)14(20)17-9(2)13(8)19-18-12-6-4-3-5-11(12)15/h3-6H,1-2H3,(H,17,20)/b19-18+
InChIKeyJSCPYSZRSAXGCA-VHEBQXMUSA-N
MW286.72 g/mol
LogP3.93
Rot. Bonds2

About 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 136677013) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID136677013
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1/N=N/c1ccccc1Cl
InChIInChI=1S/C14H11ClN4O/c1-8-10(7-16)14(20)17-9(2)13(8)19-18-12-6-4-3-5-11(12)15/h3-6H,1-2H3,(H,17,20)/b19-18+
InChIKeyJSCPYSZRSAXGCA-VHEBQXMUSA-N
XLogP3.93
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136729022
5-[(2-chlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135835167
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 136862773
2-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]benzamide
CID 137062042
5-[(2-chlorophenyl)diazenyl]-1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835171
5-[(2,3-dichlorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
CID 135790064
4-[(3-chloro-2-methylphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 968858
1-benzyl-5-[(3-chloro-2-methylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835615
6-amino-5-[(2-chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 3650612
5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 136677012
5-amino-4-[(2-chlorophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 137279213

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 136677013) is 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1/N=N/c1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is JSCPYSZRSAXGCA-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-8-10(7-16)14(20)17-9(2)13(8)19-18-12-6-4-3-5-11(12)15/h3-6H,1-2H3,(H,17,20)/b19-18+.
What are the key properties of 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 286.72 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 136677013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).