2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

C19H12BrN5 — CID 86070442

IUPAC2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H12BrN5/c20-14-9-7-13(8-10-14)17-23-18(15-5-1-3-11-21-15)25-19(24-17)16-6-2-4-12-22-16/h1-12H
InChIKeyCKWITPRSUAUDAC-UHFFFAOYSA-N
MW390.24 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine

2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 86070442) has the molecular formula C19H12BrN5 and a molecular weight of 390.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID86070442
Molecular FormulaC19H12BrN5
Molecular Weight390.24 g/mol
Exact Mass389.03
IUPAC Name2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C19H12BrN5/c20-14-9-7-13(8-10-14)17-23-18(15-5-1-3-11-21-15)25-19(24-17)16-6-2-4-12-22-16/h1-12H
InChIKeyCKWITPRSUAUDAC-UHFFFAOYSA-N
XLogP4.43
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine (CID 86070442) is 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is CKWITPRSUAUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN5/c20-14-9-7-13(8-10-14)17-23-18(15-5-1-3-11-21-15)25-19(24-17)16-6-2-4-12-22-16/h1-12H.
What are the key properties of 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine?
2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 390.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 86070442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).