2-chloro-6-(trichloromethyl)pyridine

C6H3Cl4N — CID 16004

IUPAC2-chloro-6-(trichloromethyl)pyridine
SMILESClc1cccc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKeyDCUJJWWUNKIJPH-UHFFFAOYSA-N
MW230.91 g/mol
LogP3.56
Rot. Bonds

About 2-chloro-6-(trichloromethyl)pyridine

2-chloro-6-(trichloromethyl)pyridine (PubChem CID 16004) has the molecular formula C6H3Cl4N and a molecular weight of 230.91 g/mol. Its IUPAC name is 2-chloro-6-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(trichloromethyl)pyridine
PubChem CID16004
Molecular FormulaC6H3Cl4N
Molecular Weight230.91 g/mol
Exact Mass228.90
IUPAC Name2-chloro-6-(trichloromethyl)pyridine
SMILESClc1cccc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKeyDCUJJWWUNKIJPH-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.91
LogP ≤ 53.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trichloromethyl)pyridine?
The IUPAC name of 2-chloro-6-(trichloromethyl)pyridine (CID 16004) is 2-chloro-6-(trichloromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(trichloromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(trichloromethyl)pyridine is Clc1cccc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-chloro-6-(trichloromethyl)pyridine?
The InChIKey is DCUJJWWUNKIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H.
What are the key properties of 2-chloro-6-(trichloromethyl)pyridine?
2-chloro-6-(trichloromethyl)pyridine has a molecular weight of 230.91 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trichloromethyl)pyridine is sourced from PubChem (CID 16004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).