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

C12H7BrClN3 — CID 117128051

IUPAC2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2nc(-c3ccc(Br)cc3)nn2c1
InChIInChI=1S/C12H7BrClN3/c13-9-3-1-8(2-4-9)12-15-11-6-5-10(14)7-17(11)16-12/h1-7H
InChIKeyQQYRFVVXPQXINM-UHFFFAOYSA-N
MW308.57 g/mol
LogP3.81
Rot. Bonds1

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

2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117128051) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117128051
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccc2nc(-c3ccc(Br)cc3)nn2c1
InChIInChI=1S/C12H7BrClN3/c13-9-3-1-8(2-4-9)12-15-11-6-5-10(14)7-17(11)16-12/h1-7H
InChIKeyQQYRFVVXPQXINM-UHFFFAOYSA-N
XLogP3.81
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine (CID 117128051) is 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccc2nc(-c3ccc(Br)cc3)nn2c1.
What is the InChIKey of 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QQYRFVVXPQXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-9-3-1-8(2-4-9)12-15-11-6-5-10(14)7-17(11)16-12/h1-7H.
What are the key properties of 2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine?
2-(4-bromophenyl)-6-chloro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 308.57 g/mol, XLogP of 3.81, 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-chloro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117128051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).