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

C18H19FN4O2 — CID 135835405

IUPAC5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile
SMILESCCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2F)c1=O
InChIInChI=1S/C18H19FN4O2/c1-3-4-7-10-23-17(24)13(11-20)12(2)16(18(23)25)22-21-15-9-6-5-8-14(15)19/h5-6,8-9,24H,3-4,7,10H2,1-2H3/b22-21+
InChIKeyMWXKXITYLRAUFC-QURGRASLSA-N
MW342.37 g/mol
LogP4.48
Rot. Bonds6

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

5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile (PubChem CID 135835405) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile
PubChem CID135835405
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile
SMILESCCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2F)c1=O
InChIInChI=1S/C18H19FN4O2/c1-3-4-7-10-23-17(24)13(11-20)12(2)16(18(23)25)22-21-15-9-6-5-8-14(15)19/h5-6,8-9,24H,3-4,7,10H2,1-2H3/b22-21+
InChIKeyMWXKXITYLRAUFC-QURGRASLSA-N
XLogP4.48
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile?
The IUPAC name of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile (CID 135835405) is 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile is CCCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2F)c1=O.
What is the InChIKey of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile?
The InChIKey is MWXKXITYLRAUFC-QURGRASLSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-3-4-7-10-23-17(24)13(11-20)12(2)16(18(23)25)22-21-15-9-6-5-8-14(15)19/h5-6,8-9,24H,3-4,7,10H2,1-2H3/b22-21+.
What are the key properties of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile?
5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile has a molecular weight of 342.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pentylpyridine-3-carbonitrile is sourced from PubChem (CID 135835405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).