2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

C24H16BrN3 — CID 171816987

IUPAC2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1cccc(-c2nc3c(-c4ccccc4)cc(-c4ccccc4)cn3n2)c1
InChIInChI=1S/C24H16BrN3/c25-21-13-7-12-19(14-21)23-26-24-22(18-10-5-2-6-11-18)15-20(16-28(24)27-23)17-8-3-1-4-9-17/h1-16H
InChIKeyFYCZNZURCBSVNV-UHFFFAOYSA-N
MW426.32 g/mol
LogP6.49
Rot. Bonds3

About 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine

2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 171816987) has the molecular formula C24H16BrN3 and a molecular weight of 426.32 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID171816987
Molecular FormulaC24H16BrN3
Molecular Weight426.32 g/mol
Exact Mass425.05
IUPAC Name2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1cccc(-c2nc3c(-c4ccccc4)cc(-c4ccccc4)cn3n2)c1
InChIInChI=1S/C24H16BrN3/c25-21-13-7-12-19(14-21)23-26-24-22(18-10-5-2-6-11-18)15-20(16-28(24)27-23)17-8-3-1-4-9-17/h1-16H
InChIKeyFYCZNZURCBSVNV-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-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
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-chloro-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 146983620
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-[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
5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396983
1-bromo-3-phenylbenzene
CID 16449
2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565894
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
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
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 171816987) is 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is Brc1cccc(-c2nc3c(-c4ccccc4)cc(-c4ccccc4)cn3n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FYCZNZURCBSVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3/c25-21-13-7-12-19(14-21)23-26-24-22(18-10-5-2-6-11-18)15-20(16-28(24)27-23)17-8-3-1-4-9-17/h1-16H.
What are the key properties of 2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-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-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 171816987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).