(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine

C13H11Cl2N3 — CID 46228699

IUPAC(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine
SMILESCn1ccc(=N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+
InChIKeyXAWUKMAWBQCRIH-CXUHLZMHSA-N
MW280.16 g/mol
LogP3.27
Rot. Bonds2

About (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine

(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine (PubChem CID 46228699) has the molecular formula C13H11Cl2N3 and a molecular weight of 280.16 g/mol. Its IUPAC name is (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine
PubChem CID46228699
Molecular FormulaC13H11Cl2N3
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine
SMILESCn1ccc(=N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+
InChIKeyXAWUKMAWBQCRIH-CXUHLZMHSA-N
XLogP3.27
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-Dichloro-benzyl)-1H-pyridin-4-ylideneamine
CID 16682166
4-((2,6-Dichlorobenzylidene)hydrazono)-1-(3-phenylpropyl)-1,4-dihydropyridine
CID 24894142
1-Benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,4-dihydropyridine
CID 46228700
4-((2,6-Dichlorobenzylidene)hydrazono)-1-phenethyl-1,4-dihydropyridine
CID 46228701
1-(2,6-Dichlorobenzyl)-4-((2,6-dichlorobenzylidene)hydrazono)-1,4-dihydropyridine
CID 46228702
2,6-Dichlorobenzaldehyde azine
CID 4382713
2-Chlorobenzylideneamino-3,3-dimethylguanidine
CID 9577612
(Z)-1-(2,6-dichlorophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]methanimine
CID 6085737
3-dimethylamino-5-(2',6'-dichlorobenzylidene)-6-methyl(4H)-pyridazine
CID 6438784
N,N'-Bis(2,6-dichlorobenzylidene)hydrazine
CID 9660096
N-[(E)-2-(2,6-dichlorophenyl)ethylideneamino]-N-methylmethanamine
CID 11447579
1-(2,6-dichlorobenzyl)pyridin-4(1H)-imine
CID 911232

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine?
The IUPAC name of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine (CID 46228699) is (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine.
What is the SMILES notation for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine?
The canonical SMILES for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine is Cn1ccc(=N/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine?
The InChIKey is XAWUKMAWBQCRIH-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H11Cl2N3/c1-18-7-5-10(6-8-18)17-16-9-11-12(14)3-2-4-13(11)15/h2-9H,1H3/b16-9+.
What are the key properties of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine?
(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine has a molecular weight of 280.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyridin-4-imine is sourced from PubChem (CID 46228699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).