6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

C18H11ClN4O — CID 146171454

IUPAC6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H11ClN4O/c19-14-8-6-12(7-9-14)17-16(10-13(11-20)18(24)21-17)23-22-15-4-2-1-3-5-15/h1-10H,(H,21,24)/b23-22+
InChIKeyTVIFRFCRSAYWPI-GHVJWSGMSA-N
MW334.77 g/mol
LogP4.98
Rot. Bonds3

About 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (PubChem CID 146171454) has the molecular formula C18H11ClN4O and a molecular weight of 334.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
PubChem CID146171454
Molecular FormulaC18H11ClN4O
Molecular Weight334.77 g/mol
Exact Mass334.06
IUPAC Name6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C18H11ClN4O/c19-14-8-6-12(7-9-14)17-16(10-13(11-20)18(24)21-17)23-22-15-4-2-1-3-5-15/h1-10H,(H,21,24)/b23-22+
InChIKeyTVIFRFCRSAYWPI-GHVJWSGMSA-N
XLogP4.98
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 54.98
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

2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
CID 146171449
3-benzoyl-6-(4-chlorophenyl)-5-phenyldiazenyl-1H-pyridin-2-one
CID 146171536
5-[(4-chlorophenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 137207284
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010168
[2-(4-chlorophenyl)phenyl]-phenyldiazene
CID 87651281
5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 82119661
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
6-hydroxy-3,5-bis(phenyldiazenyl)-1H-pyridin-2-one
CID 135692487
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572
6-hydroxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 817466

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile (CID 146171454) is 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is N#Cc1cc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
The InChIKey is TVIFRFCRSAYWPI-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H11ClN4O/c19-14-8-6-12(7-9-14)17-16(10-13(11-20)18(24)21-17)23-22-15-4-2-1-3-5-15/h1-10H,(H,21,24)/b23-22+.
What are the key properties of 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile has a molecular weight of 334.77 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-oxo-5-phenyldiazenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 146171454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).