5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C15H13FN4O2 — CID 123349457

IUPAC5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C/N=N/c2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H13FN4O2/c1-9-12(7-17)14(21)20(2)15(22)13(9)8-18-19-11-5-3-10(16)4-6-11/h3-6,22H,8H2,1-2H3/b19-18+
InChIKeyQWBZWVQUDRTQMQ-VHEBQXMUSA-N
MW300.29 g/mol
LogP2.69
Rot. Bonds3

About 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile

5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 123349457) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID123349457
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C/N=N/c2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H13FN4O2/c1-9-12(7-17)14(21)20(2)15(22)13(9)8-18-19-11-5-3-10(16)4-6-11/h3-6,22H,8H2,1-2H3/b19-18+
InChIKeyQWBZWVQUDRTQMQ-VHEBQXMUSA-N
XLogP2.69
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.69
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-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 123349457) is 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C/N=N/c2ccc(F)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is QWBZWVQUDRTQMQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-9-12(7-17)14(21)20(2)15(22)13(9)8-18-19-11-5-3-10(16)4-6-11/h3-6,22H,8H2,1-2H3/b19-18+.
What are the key properties of 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 300.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 123349457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).