5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile

C16H15BrN4O2 — CID 135835023

IUPAC5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C(C)C)c(=O)c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O2/c1-9(2)21-15(22)13(8-18)10(3)14(16(21)23)20-19-12-6-4-11(17)5-7-12/h4-7,9,22H,1-3H3/b20-19+
InChIKeyVTOFJTIMJKFDJB-FMQUCBEESA-N
MW375.23 g/mol
LogP4.49
Rot. Bonds3

About 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile

5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile (PubChem CID 135835023) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
PubChem CID135835023
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C(C)C)c(=O)c1/N=N/c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN4O2/c1-9(2)21-15(22)13(8-18)10(3)14(16(21)23)20-19-12-6-4-11(17)5-7-12/h4-7,9,22H,1-3H3/b20-19+
InChIKeyVTOFJTIMJKFDJB-FMQUCBEESA-N
XLogP4.49
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-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-[(4-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835864
2-hydroxy-4-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]diazenyl]-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835822
2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 135835001
5-[(3-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
CID 135835967
2-hydroxy-4-methyl-5-[[4-nitro-3-(trifluoromethyl)phenyl]diazenyl]-6-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 135835834
1-butyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 135835426
1-cyclohexyl-2-hydroxy-4-methyl-6-oxo-5-[(4-phenyldiazenylphenyl)diazenyl]pyridine-3-carbonitrile
CID 135835392
5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxy-1-(2-hydroxyethyl)-4-methyl-6-oxopyridine-3-carbonitrile
CID 940939
5-[(4-bromophenyl)iminomethyl]-1-butan-2-yl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 135668269
methyl 2-chloro-5-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoate
CID 135981147
5-[(3,4-dichlorophenyl)diazenyl]-1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 137162031
1-hexyl-2-hydroxy-5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
CID 135834984

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile (CID 135835023) is 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C(C)C)c(=O)c1/N=N/c1ccc(Br)cc1.
What is the InChIKey of 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is VTOFJTIMJKFDJB-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-9(2)21-15(22)13(8-18)10(3)14(16(21)23)20-19-12-6-4-11(17)5-7-12/h4-7,9,22H,1-3H3/b20-19+.
What are the key properties of 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile?
5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 375.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135835023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).