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

C19H13Cl4N3 — CID 46228702

IUPAC(E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H13Cl4N3/c20-16-3-1-4-17(21)14(16)11-24-25-13-7-9-26(10-8-13)12-15-18(22)5-2-6-19(15)23/h1-11H,12H2/b24-11+
InChIKeyDRRLMGZPIGNLJX-BHGWPJFGSA-N
MW425.15 g/mol
LogP6.08
Rot. Bonds4

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

(E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine (PubChem CID 46228702) has the molecular formula C19H13Cl4N3 and a molecular weight of 425.15 g/mol. Its IUPAC name is (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine.

Molecular Properties

Compound Name(E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine
PubChem CID46228702
Molecular FormulaC19H13Cl4N3
Molecular Weight425.15 g/mol
Exact Mass422.99
IUPAC Name(E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H13Cl4N3/c20-16-3-1-4-17(21)14(16)11-24-25-13-7-9-26(10-8-13)12-15-18(22)5-2-6-19(15)23/h1-11H,12H2/b24-11+
InChIKeyDRRLMGZPIGNLJX-BHGWPJFGSA-N
XLogP6.08
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.15
LogP ≤ 56.08
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
The IUPAC name of (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine (CID 46228702) is (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine.
What is the SMILES notation for (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
The canonical SMILES for (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine is Clc1cccc(Cl)c1/C=N/N=c1ccn(Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
The InChIKey is DRRLMGZPIGNLJX-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H13Cl4N3/c20-16-3-1-4-17(21)14(16)11-24-25-13-7-9-26(10-8-13)12-15-18(22)5-2-6-19(15)23/h1-11H,12H2/b24-11+.
What are the key properties of (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
(E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine has a molecular weight of 425.15 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2,6-dichlorophenyl)methyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine is sourced from PubChem (CID 46228702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).