2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine

C22H14Br2N2 — CID 139291637

IUPAC2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine
SMILESBrc1ccc(-c2cc(-c3ccccn3)cc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C22H14Br2N2/c23-18-8-4-15(5-9-18)21-13-17(20-3-1-2-12-25-20)14-22(26-21)16-6-10-19(24)11-7-16/h1-14H
InChIKeyHDIKSDAQNGGTGV-UHFFFAOYSA-N
MW466.18 g/mol
LogP7.00
Rot. Bonds3

About 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine

2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine (PubChem CID 139291637) has the molecular formula C22H14Br2N2 and a molecular weight of 466.18 g/mol. Its IUPAC name is 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine
PubChem CID139291637
Molecular FormulaC22H14Br2N2
Molecular Weight466.18 g/mol
Exact Mass463.95
IUPAC Name2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine
SMILESBrc1ccc(-c2cc(-c3ccccn3)cc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C22H14Br2N2/c23-18-8-4-15(5-9-18)21-13-17(20-3-1-2-12-25-20)14-22(26-21)16-6-10-19(24)11-7-16/h1-14H
InChIKeyHDIKSDAQNGGTGV-UHFFFAOYSA-N
XLogP7.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.18
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6834
Zimelidine
CID 5365247
Dexbrompheniramine
CID 16960
2,3'-Bipyridine
CID 11389
Zimelidine Dihydrochloride
CID 6436006
7-Bromoquinoline
CID 521259
2,4'-Bipyridine
CID 68488
Nomelidine
CID 5378630
3-Bromoquinoline
CID 21413
Norzimelidine
CID 6437872
Zimeldine hydrochloride
CID 6420041
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine?
The IUPAC name of 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine (CID 139291637) is 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine.
What is the SMILES notation for 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine?
The canonical SMILES for 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine is Brc1ccc(-c2cc(-c3ccccn3)cc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine?
The InChIKey is HDIKSDAQNGGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2/c23-18-8-4-15(5-9-18)21-13-17(20-3-1-2-12-25-20)14-22(26-21)16-6-10-19(24)11-7-16/h1-14H.
What are the key properties of 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine?
2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine has a molecular weight of 466.18 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-bromophenyl)-4-pyridin-2-ylpyridine is sourced from PubChem (CID 139291637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).