4-bromopyridine;2,6-dipyridin-2-ylpyridine

C20H15BrN4 — CID 70125485

IUPAC4-bromopyridine;2,6-dipyridin-2-ylpyridine
SMILESBrc1ccncc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C5H4BrN/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;6-5-1-3-7-4-2-5/h1-11H;1-4H
InChIKeyNMKUGIUIUIVTTL-UHFFFAOYSA-N
MW391.27 g/mol
LogP5.05
Rot. Bonds2

About 4-bromopyridine;2,6-dipyridin-2-ylpyridine

4-bromopyridine;2,6-dipyridin-2-ylpyridine (PubChem CID 70125485) has the molecular formula C20H15BrN4 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-bromopyridine;2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-bromopyridine;2,6-dipyridin-2-ylpyridine
PubChem CID70125485
Molecular FormulaC20H15BrN4
Molecular Weight391.27 g/mol
Exact Mass390.05
IUPAC Name4-bromopyridine;2,6-dipyridin-2-ylpyridine
SMILESBrc1ccncc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C5H4BrN/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;6-5-1-3-7-4-2-5/h1-11H;1-4H
InChIKeyNMKUGIUIUIVTTL-UHFFFAOYSA-N
XLogP5.05
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 10733853
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,6-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(3+);chloride;dihexafluorophosphate
CID 138455536
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-yl-6-(pyridin-4-ylmethyl)pyridine
CID 166974134
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine;2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-bromopyridine;2,6-dipyridin-2-ylpyridine (CID 70125485) is 4-bromopyridine;2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-bromopyridine;2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-bromopyridine;2,6-dipyridin-2-ylpyridine is Brc1ccncc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-bromopyridine;2,6-dipyridin-2-ylpyridine?
The InChIKey is NMKUGIUIUIVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C5H4BrN/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;6-5-1-3-7-4-2-5/h1-11H;1-4H.
What are the key properties of 4-bromopyridine;2,6-dipyridin-2-ylpyridine?
4-bromopyridine;2,6-dipyridin-2-ylpyridine has a molecular weight of 391.27 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine;2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 70125485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).