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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Related Compounds

2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 149308070
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708578
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 13339933
6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 139144277
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088

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).