4-chloro-3-(2,4,6-trichlorophenyl)pyridine

C11H5Cl4N — CID 134636075

IUPAC4-chloro-3-(2,4,6-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cnccc2Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl4N/c12-6-3-9(14)11(10(15)4-6)7-5-16-2-1-8(7)13/h1-5H
InChIKeyYPRGEJPFOICWLZ-UHFFFAOYSA-N
MW292.98 g/mol
LogP5.36
Rot. Bonds1

About 4-chloro-3-(2,4,6-trichlorophenyl)pyridine

4-chloro-3-(2,4,6-trichlorophenyl)pyridine (PubChem CID 134636075) has the molecular formula C11H5Cl4N and a molecular weight of 292.98 g/mol. Its IUPAC name is 4-chloro-3-(2,4,6-trichlorophenyl)pyridine.

Molecular Properties

Compound Name4-chloro-3-(2,4,6-trichlorophenyl)pyridine
PubChem CID134636075
Molecular FormulaC11H5Cl4N
Molecular Weight292.98 g/mol
Exact Mass290.92
IUPAC Name4-chloro-3-(2,4,6-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cnccc2Cl)c(Cl)c1
InChIInChI=1S/C11H5Cl4N/c12-6-3-9(14)11(10(15)4-6)7-5-16-2-1-8(7)13/h1-5H
InChIKeyYPRGEJPFOICWLZ-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.98
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4,6-trichlorophenyl)pyridine?
The IUPAC name of 4-chloro-3-(2,4,6-trichlorophenyl)pyridine (CID 134636075) is 4-chloro-3-(2,4,6-trichlorophenyl)pyridine.
What is the SMILES notation for 4-chloro-3-(2,4,6-trichlorophenyl)pyridine?
The canonical SMILES for 4-chloro-3-(2,4,6-trichlorophenyl)pyridine is Clc1cc(Cl)c(-c2cnccc2Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-3-(2,4,6-trichlorophenyl)pyridine?
The InChIKey is YPRGEJPFOICWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl4N/c12-6-3-9(14)11(10(15)4-6)7-5-16-2-1-8(7)13/h1-5H.
What are the key properties of 4-chloro-3-(2,4,6-trichlorophenyl)pyridine?
4-chloro-3-(2,4,6-trichlorophenyl)pyridine has a molecular weight of 292.98 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4,6-trichlorophenyl)pyridine is sourced from PubChem (CID 134636075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).