3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

C13H9N3O2 — CID 117143683

IUPAC3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(-c3cccc(O)c3)nnc2c1
InChIInChI=1S/C13H9N3O2/c17-8-9-4-5-16-12(6-9)14-15-13(16)10-2-1-3-11(18)7-10/h1-8,18H
InChIKeyFZZSCPHLVWUFDH-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.91
Rot. Bonds2

About 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 117143683) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID117143683
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(-c3cccc(O)c3)nnc2c1
InChIInChI=1S/C13H9N3O2/c17-8-9-4-5-16-12(6-9)14-15-13(16)10-2-1-3-11(18)7-10/h1-8,18H
InChIKeyFZZSCPHLVWUFDH-UHFFFAOYSA-N
XLogP1.91
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 117143683) is 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(-c3cccc(O)c3)nnc2c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is FZZSCPHLVWUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-8-9-4-5-16-12(6-9)14-15-13(16)10-2-1-3-11(18)7-10/h1-8,18H.
What are the key properties of 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 239.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).