2-[chloro-(4-chlorophenyl)methyl]pyridine

C12H9Cl2N — CID 10657539

IUPAC2-[chloro-(4-chlorophenyl)methyl]pyridine
SMILESClc1ccc(C(Cl)c2ccccn2)cc1
InChIInChI=1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H
InChIKeyJJOZASAAOCISAR-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.06
Rot. Bonds2

About 2-[chloro-(4-chlorophenyl)methyl]pyridine

2-[chloro-(4-chlorophenyl)methyl]pyridine (PubChem CID 10657539) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-[chloro-(4-chlorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[chloro-(4-chlorophenyl)methyl]pyridine
PubChem CID10657539
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2-[chloro-(4-chlorophenyl)methyl]pyridine
SMILESClc1ccc(C(Cl)c2ccccn2)cc1
InChIInChI=1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H
InChIKeyJJOZASAAOCISAR-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[chloro-(4-chlorophenyl)methyl]pyridine 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 2-[chloro-(4-chlorophenyl)methyl]pyridine?
The IUPAC name of 2-[chloro-(4-chlorophenyl)methyl]pyridine (CID 10657539) is 2-[chloro-(4-chlorophenyl)methyl]pyridine.
What is the SMILES notation for 2-[chloro-(4-chlorophenyl)methyl]pyridine?
The canonical SMILES for 2-[chloro-(4-chlorophenyl)methyl]pyridine is Clc1ccc(C(Cl)c2ccccn2)cc1.
What is the InChIKey of 2-[chloro-(4-chlorophenyl)methyl]pyridine?
The InChIKey is JJOZASAAOCISAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H.
What are the key properties of 2-[chloro-(4-chlorophenyl)methyl]pyridine?
2-[chloro-(4-chlorophenyl)methyl]pyridine has a molecular weight of 238.12 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-chlorophenyl)methyl]pyridine is sourced from PubChem (CID 10657539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).