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

C19H13ClN4O — CID 137207284

IUPAC5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C19H13ClN4O/c1-12-16(11-21)19(25)22-18(13-5-3-2-4-6-13)17(12)24-23-15-9-7-14(20)8-10-15/h2-10H,1H3,(H,22,25)/b24-23+
InChIKeyBZUDAVREXMPIHF-WCWDXBQESA-N
MW348.79 g/mol
LogP5.29
Rot. Bonds3

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

5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 137207284) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID137207284
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=O)c1C#N
InChIInChI=1S/C19H13ClN4O/c1-12-16(11-21)19(25)22-18(13-5-3-2-4-6-13)17(12)24-23-15-9-7-14(20)8-10-15/h2-10H,1H3,(H,22,25)/b24-23+
InChIKeyBZUDAVREXMPIHF-WCWDXBQESA-N
XLogP5.29
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.29
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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 137207284) is 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is Cc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=O)c1C#N.
What is the InChIKey of 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is BZUDAVREXMPIHF-WCWDXBQESA-N. The full InChI is InChI=1S/C19H13ClN4O/c1-12-16(11-21)19(25)22-18(13-5-3-2-4-6-13)17(12)24-23-15-9-7-14(20)8-10-15/h2-10H,1H3,(H,22,25)/b24-23+.
What are the key properties of 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 348.79 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 137207284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).