(Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine

C14H12Cl2N2O — CID 6023583

IUPAC(Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine
SMILESCO/N=C(/Cc1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-
InChIKeyCKPCAYZTYMHQEX-JXAWBTAJSA-N
MW295.17 g/mol
LogP3.98
Rot. Bonds4

About (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine

(Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine (PubChem CID 6023583) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine
PubChem CID6023583
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine
SMILESCO/N=C(/Cc1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-
InChIKeyCKPCAYZTYMHQEX-JXAWBTAJSA-N
XLogP3.98
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.98
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'}

Analyze (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine (CID 6023583) is (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine is CO/N=C(/Cc1cccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine?
The InChIKey is CKPCAYZTYMHQEX-JXAWBTAJSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine?
(Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine has a molecular weight of 295.17 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine is sourced from PubChem (CID 6023583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).