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

C15H13FN4O2 — CID 135433311

IUPAC5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/Nc2ccc(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/h3-6,8,19,22H,1-2H3/b18-8+
InChIKeyIPCWXWVRNJCUFE-QGMBQPNBSA-N
MW300.29 g/mol
LogP1.86
Rot. Bonds3

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

5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 135433311) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID135433311
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/Nc2ccc(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/h3-6,8,19,22H,1-2H3/b18-8+
InChIKeyIPCWXWVRNJCUFE-QGMBQPNBSA-N
XLogP1.86
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 135433311) is 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(/C=N/Nc2ccc(F)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is IPCWXWVRNJCUFE-QGMBQPNBSA-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/h3-6,8,19,22H,1-2H3/b18-8+.
What are the key properties of 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 300.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135433311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).