1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine

C12H6Cl4N4 — CID 71953011

IUPAC1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine
SMILESClc1cc(Cl)c(C=NN=Cc2cnc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H6Cl4N4/c13-9-1-11(15)17-3-7(9)5-19-20-6-8-4-18-12(16)2-10(8)14/h1-6H
InChIKeyUCFSTFZPQWYXQW-UHFFFAOYSA-N
MW348.02 g/mol
LogP4.54
Rot. Bonds3

About 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine

1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine (PubChem CID 71953011) has the molecular formula C12H6Cl4N4 and a molecular weight of 348.02 g/mol. Its IUPAC name is 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine
PubChem CID71953011
Molecular FormulaC12H6Cl4N4
Molecular Weight348.02 g/mol
Exact Mass345.93
IUPAC Name1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine
SMILESClc1cc(Cl)c(C=NN=Cc2cnc(Cl)cc2Cl)cn1
InChIInChI=1S/C12H6Cl4N4/c13-9-1-11(15)17-3-7(9)5-19-20-6-8-4-18-12(16)2-10(8)14/h1-6H
InChIKeyUCFSTFZPQWYXQW-UHFFFAOYSA-N
XLogP4.54
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.02
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine?
The IUPAC name of 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine (CID 71953011) is 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine.
What is the SMILES notation for 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine?
The canonical SMILES for 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine is Clc1cc(Cl)c(C=NN=Cc2cnc(Cl)cc2Cl)cn1.
What is the InChIKey of 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine?
The InChIKey is UCFSTFZPQWYXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4N4/c13-9-1-11(15)17-3-7(9)5-19-20-6-8-4-18-12(16)2-10(8)14/h1-6H.
What are the key properties of 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine?
1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine has a molecular weight of 348.02 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-3-pyridinyl)-N-[(4,6-dichloro-3-pyridinyl)methylideneamino]methanimine is sourced from PubChem (CID 71953011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).