1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H11Cl2N3O2 — CID 136912710

IUPAC1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C\c2cc(Cl)cc(Cl)c2O)c(=O)c1C#N
InChIInChI=1S/C15H11Cl2N3O2/c1-8-3-9(2)20(15(22)12(8)6-18)19-7-10-4-11(16)5-13(17)14(10)21/h3-5,7,21H,1-2H3/b19-7-
InChIKeyBOQDSEPJFAGBCA-GXHLCREISA-N
MW336.18 g/mol
LogP3.23
Rot. Bonds2

About 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 136912710) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID136912710
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C\c2cc(Cl)cc(Cl)c2O)c(=O)c1C#N
InChIInChI=1S/C15H11Cl2N3O2/c1-8-3-9(2)20(15(22)12(8)6-18)19-7-10-4-11(16)5-13(17)14(10)21/h3-5,7,21H,1-2H3/b19-7-
InChIKeyBOQDSEPJFAGBCA-GXHLCREISA-N
XLogP3.23
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.23
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

4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5395413
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5397001
1-[(E)-(5-bromothiophen-2-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 6873717
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351963
4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile
CID 44725249
4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 750182
1-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351966
1-[(E)-1-(4-chlorophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5395416
1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile
CID 2731573
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351951
1-[(Z)-(3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5397033
4,6-dimethyl-1-[[1-(2-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]-2-oxopyridine-3-carbonitrile
CID 23350544

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 136912710) is 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(/N=C\c2cc(Cl)cc(Cl)c2O)c(=O)c1C#N.
What is the InChIKey of 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is BOQDSEPJFAGBCA-GXHLCREISA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-8-3-9(2)20(15(22)12(8)6-18)19-7-10-4-11(16)5-13(17)14(10)21/h3-5,7,21H,1-2H3/b19-7-.
What are the key properties of 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 336.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 136912710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).