4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine

C21H14BrN3 — CID 71007131

IUPAC4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine
SMILESBrc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H14BrN3/c22-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-23-18)25-21(14-16)19-9-2-4-11-24-19/h1-14H
InChIKeyXYQRSNXFRSZJIC-UHFFFAOYSA-N
MW388.27 g/mol
LogP5.64
Rot. Bonds3

About 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine

4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine (PubChem CID 71007131) has the molecular formula C21H14BrN3 and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine
PubChem CID71007131
Molecular FormulaC21H14BrN3
Molecular Weight388.27 g/mol
Exact Mass387.04
IUPAC Name4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine
SMILESBrc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1
InChIInChI=1S/C21H14BrN3/c22-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-23-18)25-21(14-16)19-9-2-4-11-24-19/h1-14H
InChIKeyXYQRSNXFRSZJIC-UHFFFAOYSA-N
XLogP5.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.27
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine (CID 71007131) is 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine is Brc1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is XYQRSNXFRSZJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3/c22-17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-23-18)25-21(14-16)19-9-2-4-11-24-19/h1-14H.
What are the key properties of 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine?
4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 388.27 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 71007131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).