2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde

C8H6FN3O — CID 166537867

IUPAC2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
SMILESO=CCc1nnc2ccc(F)cn12
InChIInChI=1S/C8H6FN3O/c9-6-1-2-7-10-11-8(3-4-13)12(7)5-6/h1-2,4-5H,3H2
InChIKeyTUJNUXWVWZWDGK-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.61
Rot. Bonds2

About 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde

2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde (PubChem CID 166537867) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
PubChem CID166537867
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
SMILESO=CCc1nnc2ccc(F)cn12
InChIInChI=1S/C8H6FN3O/c9-6-1-2-7-10-11-8(3-4-13)12(7)5-6/h1-2,4-5H,3H2
InChIKeyTUJNUXWVWZWDGK-UHFFFAOYSA-N
XLogP0.61
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.61
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-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)acetaldehyde
CID 83874803
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 82058709
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)acetaldehyde
CID 83874365
6-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 130313391
ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674805
ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 142932355
tert-butyl N-[4-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-N-methylcarbamate
CID 129299700
2-butan-2-yl-6-fluoroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405096
3-(azepan-1-yl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 86687077

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde?
The IUPAC name of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde (CID 166537867) is 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde?
The canonical SMILES for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde is O=CCc1nnc2ccc(F)cn12.
What is the InChIKey of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde?
The InChIKey is TUJNUXWVWZWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-6-1-2-7-10-11-8(3-4-13)12(7)5-6/h1-2,4-5H,3H2.
What are the key properties of 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde?
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde has a molecular weight of 179.15 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde is sourced from PubChem (CID 166537867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).