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

C22H14BrClN2 — CID 66554011

IUPAC4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccc(Br)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H14BrClN2/c23-18-8-4-15(5-9-18)17-13-21(16-6-10-19(24)11-7-16)26-22(14-17)20-3-1-2-12-25-20/h1-14H
InChIKeyLJOBFAOMMLNASJ-UHFFFAOYSA-N
MW421.73 g/mol
LogP6.89
Rot. Bonds3

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

4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine (PubChem CID 66554011) has the molecular formula C22H14BrClN2 and a molecular weight of 421.73 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine
PubChem CID66554011
Molecular FormulaC22H14BrClN2
Molecular Weight421.73 g/mol
Exact Mass420.00
IUPAC Name4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine
SMILESClc1ccc(-c2cc(-c3ccc(Br)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H14BrClN2/c23-18-8-4-15(5-9-18)17-13-21(16-6-10-19(24)11-7-16)26-22(14-17)20-3-1-2-12-25-20/h1-14H
InChIKeyLJOBFAOMMLNASJ-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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Related Compounds

2-[1-[(5-Bromo-3-pyridinyl)methyl]piperidin-4-ylidene]-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10435300
4-[3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372701
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
13-Chloro-2-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 89474811
2-(1-Benzylpiperidin-4-ylidene)-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 155523802
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
Cycliramine
CID 22017
4-[3-(3-Bromo-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 12967034
Exo-8-[bis(2-chlorophenyl)methyl]-3-(5-bromo-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 44248790
Exo-8-[bis(2-chlorophenyl)methyl]-3-[3-bromo-2-pyridinyl]-8-azabicyclo[3.2.1]octane
CID 44248917
4-[3-(2-Bromo-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372700

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine (CID 66554011) is 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine is Clc1ccc(-c2cc(-c3ccc(Br)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is LJOBFAOMMLNASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2/c23-18-8-4-15(5-9-18)17-13-21(16-6-10-19(24)11-7-16)26-22(14-17)20-3-1-2-12-25-20/h1-14H.
What are the key properties of 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine?
4-(4-bromophenyl)-2-(4-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 4-(4-bromophenyl)-2-(4-chlorophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 66554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).