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

C16H15FN4O2 — CID 135835403

IUPAC5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2F)c1=O
InChIInChI=1S/C16H15FN4O2/c1-3-8-21-15(22)11(9-18)10(2)14(16(21)23)20-19-13-7-5-4-6-12(13)17/h4-7,22H,3,8H2,1-2H3/b20-19+
InChIKeyCHOIMDJNRIIYTM-FMQUCBEESA-N
MW314.32 g/mol
LogP3.70
Rot. Bonds4

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

5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 135835403) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
PubChem CID135835403
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)c(/N=N/c2ccccc2F)c1=O
InChIInChI=1S/C16H15FN4O2/c1-3-8-21-15(22)11(9-18)10(2)14(16(21)23)20-19-13-7-5-4-6-12(13)17/h4-7,22H,3,8H2,1-2H3/b20-19+
InChIKeyCHOIMDJNRIIYTM-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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Related Compounds

C.I. Disperse Yellow 218
CID 112297
1-(2-Hydroxy-ethyl)-4-methyl-2,6-dioxo-5-(phenyl-hydrazono)-1,2,5,6-tetrahydro-pyridine-3-carbonitrile
CID 946742
6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-5-(4-(phenylazo)phenylazo)-1,2-dihydro-3-pyridinecarbonitrile
CID 136057453
1-{2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 16957064
4-[4-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-6-oxo-1-pyridinyl]butanenitrile
CID 171346034
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-[(2,3-Dimethylphenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
CID 139199772
1-(2-(4-(4-Fluorophenyl)piperazin-1-yl)-2-oxoethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 16957063
2-(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)-N-(4-fluorophenyl)acetamide
CID 5306782
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (CID 135835403) is 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(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-propylpyridine-3-carbonitrile?
The InChIKey is CHOIMDJNRIIYTM-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-3-8-21-15(22)11(9-18)10(2)14(16(21)23)20-19-13-7-5-4-6-12(13)17/h4-7,22H,3,8H2,1-2H3/b20-19+.
What are the key properties of 5-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
5-[(2-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-[(2-fluorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 135835403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).