2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

C13H8FN3O — CID 117132985

IUPAC2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C13H8FN3O/c14-10-4-1-3-9(7-10)13-15-12-6-2-5-11(8-18)17(12)16-13/h1-8H
InChIKeyRNELCUPWVYMAHU-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.35
Rot. Bonds2

About 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117132985) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117132985
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(-c3cccc(F)c3)nn12
InChIInChI=1S/C13H8FN3O/c14-10-4-1-3-9(7-10)13-15-12-6-2-5-11(8-18)17(12)16-13/h1-8H
InChIKeyRNELCUPWVYMAHU-UHFFFAOYSA-N
XLogP2.35
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.35
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-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (CID 117132985) is 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2nc(-c3cccc(F)c3)nn12.
What is the InChIKey of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is RNELCUPWVYMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-10-4-1-3-9(7-10)13-15-12-6-2-5-11(8-18)17(12)16-13/h1-8H.
What are the key properties of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 241.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117132985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).