1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one

C14H12Cl2N2O2 — CID 135418698

IUPAC1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8-3-9(2)18(13(19)4-8)17-7-10-5-11(15)6-12(16)14(10)20/h3-7,20H,1-2H3/b17-7+
InChIKeyWNOSYZDWVAPALN-REZTVBANSA-N
MW311.17 g/mol
LogP3.36
Rot. Bonds2

About 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one

1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one (PubChem CID 135418698) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
PubChem CID135418698
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one
SMILESCc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1
InChIInChI=1S/C14H12Cl2N2O2/c1-8-3-9(2)18(13(19)4-8)17-7-10-5-11(15)6-12(16)14(10)20/h3-7,20H,1-2H3/b17-7+
InChIKeyWNOSYZDWVAPALN-REZTVBANSA-N
XLogP3.36
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The IUPAC name of 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one (CID 135418698) is 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The canonical SMILES for 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one is Cc1cc(C)n(/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)c1.
What is the InChIKey of 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
The InChIKey is WNOSYZDWVAPALN-REZTVBANSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8-3-9(2)18(13(19)4-8)17-7-10-5-11(15)6-12(16)14(10)20/h3-7,20H,1-2H3/b17-7+.
What are the key properties of 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one?
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one has a molecular weight of 311.17 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 135418698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).