2,3,6-trichloro-4-(trichloromethyl)pyridine

C6HCl6N — CID 14512982

IUPAC2,3,6-trichloro-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C6HCl6N/c7-3-1-2(6(10,11)12)4(8)5(9)13-3/h1H
InChIKeyJQLYAZKWJYQPGU-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.87
Rot. Bonds

About 2,3,6-trichloro-4-(trichloromethyl)pyridine

2,3,6-trichloro-4-(trichloromethyl)pyridine (PubChem CID 14512982) has the molecular formula C6HCl6N and a molecular weight of 299.80 g/mol. Its IUPAC name is 2,3,6-trichloro-4-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2,3,6-trichloro-4-(trichloromethyl)pyridine
PubChem CID14512982
Molecular FormulaC6HCl6N
Molecular Weight299.80 g/mol
Exact Mass296.82
IUPAC Name2,3,6-trichloro-4-(trichloromethyl)pyridine
SMILESClc1cc(C(Cl)(Cl)Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C6HCl6N/c7-3-1-2(6(10,11)12)4(8)5(9)13-3/h1H
InChIKeyJQLYAZKWJYQPGU-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,3,6-trichloro-4-(trichloromethyl)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 2,3,6-trichloro-4-(trichloromethyl)pyridine?
The IUPAC name of 2,3,6-trichloro-4-(trichloromethyl)pyridine (CID 14512982) is 2,3,6-trichloro-4-(trichloromethyl)pyridine.
What is the SMILES notation for 2,3,6-trichloro-4-(trichloromethyl)pyridine?
The canonical SMILES for 2,3,6-trichloro-4-(trichloromethyl)pyridine is Clc1cc(C(Cl)(Cl)Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 2,3,6-trichloro-4-(trichloromethyl)pyridine?
The InChIKey is JQLYAZKWJYQPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl6N/c7-3-1-2(6(10,11)12)4(8)5(9)13-3/h1H.
What are the key properties of 2,3,6-trichloro-4-(trichloromethyl)pyridine?
2,3,6-trichloro-4-(trichloromethyl)pyridine has a molecular weight of 299.80 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-4-(trichloromethyl)pyridine is sourced from PubChem (CID 14512982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).