2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

C24H16BrN3 — CID 170064697

IUPAC2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccc(-c2nc3c(-c4ccccc4)cc(-c4ccccc4)cn3n2)cc1
InChIInChI=1S/C24H16BrN3/c25-21-13-11-19(12-14-21)23-26-24-22(18-9-5-2-6-10-18)15-20(16-28(24)27-23)17-7-3-1-4-8-17/h1-16H
InChIKeyORIPDDTUKHHFLZ-UHFFFAOYSA-N
MW426.32 g/mol
LogP6.49
Rot. Bonds3

About 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 170064697) has the molecular formula C24H16BrN3 and a molecular weight of 426.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID170064697
Molecular FormulaC24H16BrN3
Molecular Weight426.32 g/mol
Exact Mass425.05
IUPAC Name2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccc(-c2nc3c(-c4ccccc4)cc(-c4ccccc4)cn3n2)cc1
InChIInChI=1S/C24H16BrN3/c25-21-13-11-19(12-14-21)23-26-24-22(18-9-5-2-6-10-18)15-20(16-28(24)27-23)17-7-3-1-4-8-17/h1-16H
InChIKeyORIPDDTUKHHFLZ-UHFFFAOYSA-N
XLogP6.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987
2-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 146983620
2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638533
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565894
2-[4-[3-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]naphthalen-1-yl]-5-methylbenzo[b]phosphindole 5-oxide
CID 176638737
2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 167109598
2-[3-(5-methylbenzo[b]phosphindol-3-yl)-5-phenanthren-9-ylphenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638816
methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565449
7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 141474015
2-(2-fluorophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565303
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 170064697) is 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is Brc1ccc(-c2nc3c(-c4ccccc4)cc(-c4ccccc4)cn3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ORIPDDTUKHHFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3/c25-21-13-11-19(12-14-21)23-26-24-22(18-9-5-2-6-10-18)15-20(16-28(24)27-23)17-7-3-1-4-8-17/h1-16H.
What are the key properties of 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 426.32 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 170064697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).