5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

C16H15FN4O2 — CID 135835425

IUPAC5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H15FN4O2/c1-3-8-21-15(22)13(9-18)10(2)14(16(21)23)20-19-12-6-4-11(17)5-7-12/h4-7,22H,3,8H2,1-2H3/b20-19+
InChIKeyNWIXGYOGKXNBNA-FMQUCBEESA-N
MW314.32 g/mol
LogP3.70
Rot. Bonds4

About 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 135835425) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
PubChem CID135835425
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(F)cc2)c1=O
InChIInChI=1S/C16H15FN4O2/c1-3-8-21-15(22)13(9-18)10(2)14(16(21)23)20-19-12-6-4-11(17)5-7-12/h4-7,22H,3,8H2,1-2H3/b20-19+
InChIKeyNWIXGYOGKXNBNA-FMQUCBEESA-N
XLogP3.70
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.70
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (CID 135835425) is 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(F)cc2)c1=O.
What is the InChIKey of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is NWIXGYOGKXNBNA-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-3-8-21-15(22)13(9-18)10(2)14(16(21)23)20-19-12-6-4-11(17)5-7-12/h4-7,22H,3,8H2,1-2H3/b20-19+.
What are the key properties of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 314.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 135835425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).