4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

C13H10N4O — CID 135407267

IUPAC4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILESCc1c(/N=N/c2ccccc2)c[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N4O/c1-9-11(7-14)13(18)15-8-12(9)17-16-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,18)/b17-16+
InChIKeyRZCIFKHAKVTNOV-WUKNDPDISA-N
MW238.25 g/mol
LogP2.97
Rot. Bonds2

About 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (PubChem CID 135407267) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
PubChem CID135407267
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILESCc1c(/N=N/c2ccccc2)c[nH]c(=O)c1C#N
InChIInChI=1S/C13H10N4O/c1-9-11(7-14)13(18)15-8-12(9)17-16-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,18)/b17-16+
InChIKeyRZCIFKHAKVTNOV-WUKNDPDISA-N
XLogP2.97
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.97
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-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171449
5-[(2-chlorophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136677013
5-[(3-cyanophenyl)diazenyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 136729022
3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
diphenyldiazene;oxalonitrile
CID 174439181
6-hydroxy-3,5-bis(phenyldiazenyl)-1H-pyridin-2-one
CID 135692487
5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 82113760
5-methanimidoyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 818624
6-anilino-4-methyl-5-(naphthalen-1-yldiazenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 136862773
1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835392
6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171454

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (CID 135407267) is 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is Cc1c(/N=N/c2ccccc2)c[nH]c(=O)c1C#N.
What is the InChIKey of 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The InChIKey is RZCIFKHAKVTNOV-WUKNDPDISA-N. The full InChI is InChI=1S/C13H10N4O/c1-9-11(7-14)13(18)15-8-12(9)17-16-10-5-3-2-4-6-10/h2-6,8H,1H3,(H,15,18)/b17-16+.
What are the key properties of 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 135407267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).