2,4,6-tris(2,4-dichlorophenyl)pyridine

C23H11Cl6N — CID 86059634

IUPAC2,4,6-tris(2,4-dichlorophenyl)pyridine
SMILESClc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(-c3ccc(Cl)cc3Cl)c2)c(Cl)c1
InChIInChI=1S/C23H11Cl6N/c24-13-1-4-16(19(27)9-13)12-7-22(17-5-2-14(25)10-20(17)28)30-23(8-12)18-6-3-15(26)11-21(18)29/h1-11H
InChIKeyYVHHCWIZXZSNMD-UHFFFAOYSA-N
MW514.07 g/mol
LogP10.00
Rot. Bonds3

About 2,4,6-tris(2,4-dichlorophenyl)pyridine

2,4,6-tris(2,4-dichlorophenyl)pyridine (PubChem CID 86059634) has the molecular formula C23H11Cl6N and a molecular weight of 514.07 g/mol. Its IUPAC name is 2,4,6-tris(2,4-dichlorophenyl)pyridine.

Molecular Properties

Compound Name2,4,6-tris(2,4-dichlorophenyl)pyridine
PubChem CID86059634
Molecular FormulaC23H11Cl6N
Molecular Weight514.07 g/mol
Exact Mass510.90
IUPAC Name2,4,6-tris(2,4-dichlorophenyl)pyridine
SMILESClc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(-c3ccc(Cl)cc3Cl)c2)c(Cl)c1
InChIInChI=1S/C23H11Cl6N/c24-13-1-4-16(19(27)9-13)12-7-22(17-5-2-14(25)10-20(17)28)30-23(8-12)18-6-3-15(26)11-21(18)29/h1-11H
InChIKeyYVHHCWIZXZSNMD-UHFFFAOYSA-N
XLogP10.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.07
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4-dichlorophenyl)pyridine?
The IUPAC name of 2,4,6-tris(2,4-dichlorophenyl)pyridine (CID 86059634) is 2,4,6-tris(2,4-dichlorophenyl)pyridine.
What is the SMILES notation for 2,4,6-tris(2,4-dichlorophenyl)pyridine?
The canonical SMILES for 2,4,6-tris(2,4-dichlorophenyl)pyridine is Clc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(-c3ccc(Cl)cc3Cl)c2)c(Cl)c1.
What is the InChIKey of 2,4,6-tris(2,4-dichlorophenyl)pyridine?
The InChIKey is YVHHCWIZXZSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H11Cl6N/c24-13-1-4-16(19(27)9-13)12-7-22(17-5-2-14(25)10-20(17)28)30-23(8-12)18-6-3-15(26)11-21(18)29/h1-11H.
What are the key properties of 2,4,6-tris(2,4-dichlorophenyl)pyridine?
2,4,6-tris(2,4-dichlorophenyl)pyridine has a molecular weight of 514.07 g/mol, XLogP of 10.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,4-dichlorophenyl)pyridine is sourced from PubChem (CID 86059634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).