2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

C13H8FN3O — CID 117137585

IUPAC2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(-c3cccc(F)c3)nc12
InChIInChI=1S/C13H8FN3O/c14-11-5-1-3-9(7-11)12-15-13-10(8-18)4-2-6-17(13)16-12/h1-8H
InChIKeyMVPKIRUHFGYSPO-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.35
Rot. Bonds2

About 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde

2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117137585) 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-8-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117137585
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(-c3cccc(F)c3)nc12
InChIInChI=1S/C13H8FN3O/c14-11-5-1-3-9(7-11)12-15-13-10(8-18)4-2-6-17(13)16-12/h1-8H
InChIKeyMVPKIRUHFGYSPO-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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Related Compounds

2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
2-(5-bromothiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137079
7-fluoro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175890015
3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127903
2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137210
2-(3-bromo-5-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566311
6-chloro-2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130734
8-nitro-2-(3-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 82566580
[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132976
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117133013
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 117137585) is 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is O=Cc1cccn2nc(-c3cccc(F)c3)nc12.
What is the InChIKey of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is MVPKIRUHFGYSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-11-5-1-3-9(7-11)12-15-13-10(8-18)4-2-6-17(13)16-12/h1-8H.
What are the key properties of 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-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-8-carbaldehyde is sourced from PubChem (CID 117137585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).