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

C15H12FN3O2 — CID 1219144

IUPAC5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H12FN3O2/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(16)4-6-11/h3-6,8,21H,1-2H3/b18-8+
InChIKeyVAEAOHQEXMWBGW-QGMBQPNBSA-N
MW285.28 g/mol
LogP2.16
Rot. Bonds2

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

5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 1219144) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID1219144
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(/C=N/c2ccc(F)cc2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H12FN3O2/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(16)4-6-11/h3-6,8,21H,1-2H3/b18-8+
InChIKeyVAEAOHQEXMWBGW-QGMBQPNBSA-N
XLogP2.16
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Anilinomethylene)-1,3-dimethylbarbituric acid
CID 2320102
1-allyl-5-{[(4-fluorophenyl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1908935
5-[(4-Fluoroanilino)methylene]-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,2,5,6-tetrahydro-3-pyridinecarbonitrile
CID 979339
(5Z)-5-[[2-(4-fluorophenyl)hydrazinyl]methylidene]-1,4-dimethyl-2,6-dioxopyridine-3-carbonitrile
CID 135433311
5-{[(4-fluorophenyl)amino]methylene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1905204
1-Butyl-4-methyl-2,6-dioxo-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 135398872
5-[[(4-Fluorophenyl)hydrazinylidene]methyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 851489
3-[(3-Fluorophenylamino)methylidene]pentane-2,4-dione
CID 137178401
5-[(4-Chlorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 835216
5-{[(4-Fluorophenyl)amino]methylene}-1,3-dimethyl-2-thioxo-1,3-dihydropyrimidi ne-4,6-dione
CID 672314
5-[(4-Fluoroanilino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 2785930
3-[(4-Fluorophenylamino)methylidene]pentane-2,4-dione
CID 135408293

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 1219144) is 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(/C=N/c2ccc(F)cc2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is VAEAOHQEXMWBGW-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(16)4-6-11/h3-6,8,21H,1-2H3/b18-8+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 285.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 1219144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).