1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C20H12F3N3O2 — CID 136649641

IUPAC1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N=Cc2ccccc2O)c1=O
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)16-10-17(13-6-2-1-3-7-13)26(19(28)15(16)11-24)25-12-14-8-4-5-9-18(14)27/h1-10,12,27H
InChIKeyOVEJFWNQSHILDK-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.99
Rot. Bonds3

About 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 136649641) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID136649641
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N=Cc2ccccc2O)c1=O
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)16-10-17(13-6-2-1-3-7-13)26(19(28)15(16)11-24)25-12-14-8-4-5-9-18(14)27/h1-10,12,27H
InChIKeyOVEJFWNQSHILDK-UHFFFAOYSA-N
XLogP3.99
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-[Ethyl-[(3-fluorophenyl)methyl]amino]hexyl]-6-(5-fluoro-2-hydroxyphenyl)pyridazin-3-one
CID 168286355
1-[(4-Hydroxybenzylidene)amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 135418683
4,6-dimethyl-2-oxo-1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pyridine-3-carbonitrile
CID 135418720
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 13667328
1-(Cyclohexylideneamino)-6-(3-hydroxyphenyl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339467
1-[(4-Methoxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 67339492
6-(3-hydroxyphenyl)-1-[(E)-3-methylbutan-2-ylideneamino]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 87362064
6-(3-Hydroxyphenyl)-1-(3-methylbutan-2-ylideneamino)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 91581250
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 135972051
1-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 135972052
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-isocyano-6-phenyl-4-(trifluoromethyl)pyridin-2-one
CID 135972053
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 136397816

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 136649641) is 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(N=Cc2ccccc2O)c1=O.
What is the InChIKey of 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OVEJFWNQSHILDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)16-10-17(13-6-2-1-3-7-13)26(19(28)15(16)11-24)25-12-14-8-4-5-9-18(14)27/h1-10,12,27H.
What are the key properties of 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 383.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methylideneamino]-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 136649641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).