2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine

C22H14BrClN2 — CID 139238579

IUPAC2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine
SMILESClc1cccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C22H14BrClN2/c23-18-9-7-15(8-10-18)21-13-17(16-4-3-5-19(24)12-16)14-22(26-21)20-6-1-2-11-25-20/h1-14H
InChIKeyLWESRHHETHDLQW-UHFFFAOYSA-N
MW421.73 g/mol
LogP6.89
Rot. Bonds3

About 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine

2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine (PubChem CID 139238579) has the molecular formula C22H14BrClN2 and a molecular weight of 421.73 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine
PubChem CID139238579
Molecular FormulaC22H14BrClN2
Molecular Weight421.73 g/mol
Exact Mass420.00
IUPAC Name2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine
SMILESClc1cccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C22H14BrClN2/c23-18-9-7-15(8-10-18)21-13-17(16-4-3-5-19(24)12-16)14-22(26-21)20-6-1-2-11-25-20/h1-14H
InChIKeyLWESRHHETHDLQW-UHFFFAOYSA-N
XLogP6.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.73
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine (CID 139238579) is 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine is Clc1cccc(-c2cc(-c3ccc(Br)cc3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is LWESRHHETHDLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2/c23-18-9-7-15(8-10-18)21-13-17(16-4-3-5-19(24)12-16)14-22(26-21)20-6-1-2-11-25-20/h1-14H.
What are the key properties of 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine?
2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine has a molecular weight of 421.73 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(3-chlorophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139238579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).