2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine

C13H8BrN5 — CID 118196223

IUPAC2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESBrc1nc(-c2ccncc2)nc(-c2ccncc2)n1
InChIInChI=1S/C13H8BrN5/c14-13-18-11(9-1-5-15-6-2-9)17-12(19-13)10-3-7-16-8-4-10/h1-8H
InChIKeyGCFVIKURQXVWMY-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.76
Rot. Bonds2

About 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine

2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine (PubChem CID 118196223) has the molecular formula C13H8BrN5 and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
PubChem CID118196223
Molecular FormulaC13H8BrN5
Molecular Weight314.15 g/mol
Exact Mass313.00
IUPAC Name2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESBrc1nc(-c2ccncc2)nc(-c2ccncc2)n1
InChIInChI=1S/C13H8BrN5/c14-13-18-11(9-1-5-15-6-2-9)17-12(19-13)10-3-7-16-8-4-10/h1-8H
InChIKeyGCFVIKURQXVWMY-UHFFFAOYSA-N
XLogP2.76
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine?
The IUPAC name of 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine (CID 118196223) is 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine?
The canonical SMILES for 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine is Brc1nc(-c2ccncc2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine?
The InChIKey is GCFVIKURQXVWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN5/c14-13-18-11(9-1-5-15-6-2-9)17-12(19-13)10-3-7-16-8-4-10/h1-8H.
What are the key properties of 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine?
2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine has a molecular weight of 314.15 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine is sourced from PubChem (CID 118196223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).