2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

C13H8BrN3O — CID 117135404

IUPAC2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2nc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C13H8BrN3O/c14-11-4-2-1-3-10(11)13-15-12-7-9(8-18)5-6-17(12)16-13/h1-8H
InChIKeyCQAQWHOKDFNCPT-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.97
Rot. Bonds2

About 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde

2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 117135404) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
PubChem CID117135404
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2nc(-c3ccccc3Br)nc2c1
InChIInChI=1S/C13H8BrN3O/c14-11-4-2-1-3-10(11)13-15-12-7-9(8-18)5-6-17(12)16-13/h1-8H
InChIKeyCQAQWHOKDFNCPT-UHFFFAOYSA-N
XLogP2.97
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde (CID 117135404) is 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde is O=Cc1ccn2nc(-c3ccccc3Br)nc2c1.
What is the InChIKey of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is CQAQWHOKDFNCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-11-4-2-1-3-10(11)13-15-12-7-9(8-18)5-6-17(12)16-13/h1-8H.
What are the key properties of 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde?
2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 302.13 g/mol, XLogP of 2.97, 2 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-7-carbaldehyde is sourced from PubChem (CID 117135404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).