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

C13H7BrN4 — CID 82567451

IUPAC2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1cccc2nc(-c3ccccc3Br)nn12
InChIInChI=1S/C13H7BrN4/c14-11-6-2-1-5-10(11)13-16-12-7-3-4-9(8-15)18(12)17-13/h1-7H
InChIKeyMCVOXTQYQDEYSY-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.03
Rot. Bonds1

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

2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 82567451) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID82567451
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1cccc2nc(-c3ccccc3Br)nn12
InChIInChI=1S/C13H7BrN4/c14-11-6-2-1-5-10(11)13-16-12-7-3-4-9(8-15)18(12)17-13/h1-7H
InChIKeyMCVOXTQYQDEYSY-UHFFFAOYSA-N
XLogP3.03
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567403
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
2-amino-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 59276463
methyl 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567386
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567442
5-bromo-2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133109
2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158379
2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135404
5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133090
[2-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117133068
2-(2-bromophenyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 101185441
(5Z)-5-benzylidene-2-(2-bromophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6518745

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile (CID 82567451) is 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile is N#Cc1cccc2nc(-c3ccccc3Br)nn12.
What is the InChIKey of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is MCVOXTQYQDEYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-11-6-2-1-5-10(11)13-16-12-7-3-4-9(8-15)18(12)17-13/h1-7H.
What are the key properties of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 299.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 82567451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).