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

C19H15Cl2N3 — CID 46228700

IUPAC(E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(Cc2ccccc2)cc1
InChIInChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+
InChIKeyRQIDOLDMXBTOIO-LPYMAVHISA-N
MW356.26 g/mol
LogP4.78
Rot. Bonds4

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

(E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine (PubChem CID 46228700) has the molecular formula C19H15Cl2N3 and a molecular weight of 356.26 g/mol. Its IUPAC name is (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine.

Molecular Properties

Compound Name(E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine
PubChem CID46228700
Molecular FormulaC19H15Cl2N3
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name(E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(Cc2ccccc2)cc1
InChIInChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+
InChIKeyRQIDOLDMXBTOIO-LPYMAVHISA-N
XLogP4.78
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.78
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-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
The IUPAC name of (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine (CID 46228700) is (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine.
What is the SMILES notation for (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
The canonical SMILES for (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine is Clc1cccc(Cl)c1/C=N/N=c1ccn(Cc2ccccc2)cc1.
What is the InChIKey of (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
The InChIKey is RQIDOLDMXBTOIO-LPYMAVHISA-N. The full InChI is InChI=1S/C19H15Cl2N3/c20-18-7-4-8-19(21)17(18)13-22-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-13H,14H2/b22-13+.
What are the key properties of (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine?
(E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine has a molecular weight of 356.26 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-benzyl-N-[(E)-(2,6-dichlorophenyl)methylideneamino]pyridin-4-imine is sourced from PubChem (CID 46228700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).