2,3,6-trichloropyridine

C5H2Cl3N — CID 23016

IUPAC2,3,6-trichloropyridine
SMILESClc1ccc(Cl)c(Cl)n1
InChIInChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKeyGPAKJVMKNDXBHH-UHFFFAOYSA-N
MW182.44 g/mol
LogP3.04
Rot. Bonds

About 2,3,6-trichloropyridine

2,3,6-trichloropyridine (PubChem CID 23016) has the molecular formula C5H2Cl3N and a molecular weight of 182.44 g/mol. Its IUPAC name is 2,3,6-trichloropyridine.

Molecular Properties

Compound Name2,3,6-trichloropyridine
PubChem CID23016
Molecular FormulaC5H2Cl3N
Molecular Weight182.44 g/mol
Exact Mass180.93
IUPAC Name2,3,6-trichloropyridine
SMILESClc1ccc(Cl)c(Cl)n1
InChIInChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKeyGPAKJVMKNDXBHH-UHFFFAOYSA-N
XLogP3.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloropyridine?
The IUPAC name of 2,3,6-trichloropyridine (CID 23016) is 2,3,6-trichloropyridine.
What is the SMILES notation for 2,3,6-trichloropyridine?
The canonical SMILES for 2,3,6-trichloropyridine is Clc1ccc(Cl)c(Cl)n1.
What is the InChIKey of 2,3,6-trichloropyridine?
The InChIKey is GPAKJVMKNDXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H.
What are the key properties of 2,3,6-trichloropyridine?
2,3,6-trichloropyridine has a molecular weight of 182.44 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloropyridine is sourced from PubChem (CID 23016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).