2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde

C13H10N4O — CID 138707243

IUPAC2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde
SMILESO=CC(c1ccccn1)c1cccn2cnnc12
InChIInChI=1S/C13H10N4O/c18-8-11(12-5-1-2-6-14-12)10-4-3-7-17-9-15-16-13(10)17/h1-9,11H
InChIKeyAJHJOZJSVGKKKT-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.46
Rot. Bonds3

About 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde

2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde (PubChem CID 138707243) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde.

Molecular Properties

Compound Name2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde
PubChem CID138707243
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde
SMILESO=CC(c1ccccn1)c1cccn2cnnc12
InChIInChI=1S/C13H10N4O/c18-8-11(12-5-1-2-6-14-12)10-4-3-7-17-9-15-16-13(10)17/h1-9,11H
InChIKeyAJHJOZJSVGKKKT-UHFFFAOYSA-N
XLogP1.46
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192
3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
CID 58518078
3-imidazol-1-yl-2-pyridin-2-ylpropanal
CID 174716716
[1,2,4]triazolo[4,3-a]pyridin-8-amine;dihydrochloride
CID 155978316
(S)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292894
(R)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292895
N-[(1R)-1-pyridin-2-ylethyl]formamide
CID 40637873
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
8-[(2-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 67250292
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138019782

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde?
The IUPAC name of 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde (CID 138707243) is 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde.
What is the SMILES notation for 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde?
The canonical SMILES for 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde is O=CC(c1ccccn1)c1cccn2cnnc12.
What is the InChIKey of 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde?
The InChIKey is AJHJOZJSVGKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-8-11(12-5-1-2-6-14-12)10-4-3-7-17-9-15-16-13(10)17/h1-9,11H.
What are the key properties of 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde?
2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde has a molecular weight of 238.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-8-yl)acetaldehyde is sourced from PubChem (CID 138707243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).