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

C13H9N3O2 — CID 137006562

IUPAC3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nnc(-c3ccccc3O)n12
InChIInChI=1S/C13H9N3O2/c17-8-9-4-3-7-12-14-15-13(16(9)12)10-5-1-2-6-11(10)18/h1-8,18H
InChIKeyIAAWHKSBYZHNLR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.91
Rot. Bonds2

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

3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (PubChem CID 137006562) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
PubChem CID137006562
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nnc(-c3ccccc3O)n12
InChIInChI=1S/C13H9N3O2/c17-8-9-4-3-7-12-14-15-13(16(9)12)10-5-1-2-6-11(10)18/h1-8,18H
InChIKeyIAAWHKSBYZHNLR-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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Related Compounds

3-(5-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141112
3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141106
3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141154
3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 137006539
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol
CID 135626900
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117142098
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
3-[3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]propanoic acid
CID 136859401
2-(1,3,4-oxadiazol-2-yl)phenol
CID 13883
5-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061327

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde (CID 137006562) is 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is O=Cc1cccc2nnc(-c3ccccc3O)n12.
What is the InChIKey of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
The InChIKey is IAAWHKSBYZHNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-8-9-4-3-7-12-14-15-13(16(9)12)10-5-1-2-6-11(10)18/h1-8,18H.
What are the key properties of 3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde?
3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-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-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 137006562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).