3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine

C19H15Cl2N — CID 57322470

IUPAC3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine
SMILESClc1ccc(CCc2ncccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2N/c20-16-8-3-14(4-9-16)5-12-19-18(2-1-13-22-19)15-6-10-17(21)11-7-15/h1-4,6-11,13H,5,12H2
InChIKeyQLARROQCVYKGNQ-UHFFFAOYSA-N
MW328.24 g/mol
LogP5.84
Rot. Bonds4

About 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine

3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine (PubChem CID 57322470) has the molecular formula C19H15Cl2N and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine
PubChem CID57322470
Molecular FormulaC19H15Cl2N
Molecular Weight328.24 g/mol
Exact Mass327.06
IUPAC Name3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine
SMILESClc1ccc(CCc2ncccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15Cl2N/c20-16-8-3-14(4-9-16)5-12-19-18(2-1-13-22-19)15-6-10-17(21)11-7-15/h1-4,6-11,13H,5,12H2
InChIKeyQLARROQCVYKGNQ-UHFFFAOYSA-N
XLogP5.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.24
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine (CID 57322470) is 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine is Clc1ccc(CCc2ncccc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine?
The InChIKey is QLARROQCVYKGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N/c20-16-8-3-14(4-9-16)5-12-19-18(2-1-13-22-19)15-6-10-17(21)11-7-15/h1-4,6-11,13H,5,12H2.
What are the key properties of 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine?
3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine has a molecular weight of 328.24 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethyl]pyridine is sourced from PubChem (CID 57322470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).