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

C14H11FN4O2 — CID 135835423

IUPAC5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2/c1-8-11(7-16)13(20)19(2)14(21)12(8)18-17-10-5-3-9(15)4-6-10/h3-6,20H,1-2H3/b18-17+
InChIKeyPGHZZBLOFKKCGE-ISLYRVAYSA-N
MW286.27 g/mol
LogP2.83
Rot. Bonds2

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

5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (PubChem CID 135835423) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
PubChem CID135835423
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
SMILESCc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2/c1-8-11(7-16)13(20)19(2)14(21)12(8)18-17-10-5-3-9(15)4-6-10/h3-6,20H,1-2H3/b18-17+
InChIKeyPGHZZBLOFKKCGE-ISLYRVAYSA-N
XLogP2.83
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.83
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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Related Compounds

1-(2-Hydroxy-ethyl)-4-methyl-2,6-dioxo-5-(phenyl-hydrazono)-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 946742
1-(4-Fluorophenyl)-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
CID 129840916
1-Butyl-5-[(4-cyanophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 3781147
5-[[(4-Fluorophenyl)diazenyl]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 123349457
2-Hydroxy-1,4-dimethyl-6-oxo-5-[[4-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
CID 135627049
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
CID 135835382
2-hydroxy-6-oxo-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 139839215
5-[(4-Fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 2753914
6-Hydroxy-1,4-dimethyl-5-[(4-methylphenyl)diazenyl]-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 4350249
6-hydroxy-4-methyl-2-oxo-1-propyl-5-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}-1,2-dihydropyridine-3-carbonitrile
CID 135650225
5-[(2-Fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135672471
5-[(3-Fluorophenyl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135672472

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile (CID 135835423) is 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile is Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
The InChIKey is PGHZZBLOFKKCGE-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-8-11(7-16)13(20)19(2)14(21)12(8)18-17-10-5-3-9(15)4-6-10/h3-6,20H,1-2H3/b18-17+.
What are the key properties of 5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile?
5-[(4-fluorophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile has a molecular weight of 286.27 g/mol, XLogP of 2.83, 2 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-1,4-dimethyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 135835423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).