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

C13H10BrN3 — CID 82566416

IUPAC2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Br)cc3)nn2c1
InChIInChI=1S/C13H10BrN3/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(14)6-4-10/h2-8H,1H3
InChIKeySIIURXZERGCUNT-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.47
Rot. Bonds1

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

2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 82566416) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID82566416
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Br)cc3)nn2c1
InChIInChI=1S/C13H10BrN3/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(14)6-4-10/h2-8H,1H3
InChIKeySIIURXZERGCUNT-UHFFFAOYSA-N
XLogP3.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 82566416) is 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc2nc(-c3ccc(Br)cc3)nn2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SIIURXZERGCUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(14)6-4-10/h2-8H,1H3.
What are the key properties of 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 288.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 82566416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).