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

C15H13FN4O2 — CID 135835424

IUPAC1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H13FN4O2/c1-3-20-14(21)12(8-17)9(2)13(15(20)22)19-18-11-6-4-10(16)5-7-11/h4-7,21H,3H2,1-2H3/b19-18+
InChIKeyRQSAXHSVRUVTNJ-VHEBQXMUSA-N
MW300.29 g/mol
LogP3.31
Rot. Bonds3

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

1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835424) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID135835424
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H13FN4O2/c1-3-20-14(21)12(8-17)9(2)13(15(20)22)19-18-11-6-4-10(16)5-7-11/h4-7,21H,3H2,1-2H3/b19-18+
InChIKeyRQSAXHSVRUVTNJ-VHEBQXMUSA-N
XLogP3.31
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 ≤ 53.31
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 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile (CID 135835424) is 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is CCn1c(O)c(C#N)c(C)c(/N=N/c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is RQSAXHSVRUVTNJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-3-20-14(21)12(8-17)9(2)13(15(20)22)19-18-11-6-4-10(16)5-7-11/h4-7,21H,3H2,1-2H3/b19-18+.
What are the key properties of 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile?
1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 300.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).