2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine

C23H18ClN3 — CID 66829709

IUPAC2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
SMILESClc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C23H18ClN3/c24-21-9-1-5-17(13-21)23-18(6-4-12-27-23)14-22(19-7-2-10-25-15-19)20-8-3-11-26-16-20/h1-13,15-16,22H,14H2
InChIKeyLLVWDOAYMYUNNS-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.57
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine

2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine (PubChem CID 66829709) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
PubChem CID66829709
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
SMILESClc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C23H18ClN3/c24-21-9-1-5-17(13-21)23-18(6-4-12-27-23)14-22(19-7-2-10-25-15-19)20-8-3-11-26-16-20/h1-13,15-16,22H,14H2
InChIKeyLLVWDOAYMYUNNS-UHFFFAOYSA-N
XLogP5.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
The IUPAC name of 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine (CID 66829709) is 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine is Clc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
The InChIKey is LLVWDOAYMYUNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c24-21-9-1-5-17(13-21)23-18(6-4-12-27-23)14-22(19-7-2-10-25-15-19)20-8-3-11-26-16-20/h1-13,15-16,22H,14H2.
What are the key properties of 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine?
2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine has a molecular weight of 371.87 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine is sourced from PubChem (CID 66829709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).