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

C14H11N3O2 — CID 117137210

IUPAC2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(Cc3cccc(O)c3)nc12
InChIInChI=1S/C14H11N3O2/c18-9-11-4-2-6-17-14(11)15-13(16-17)8-10-3-1-5-12(19)7-10/h1-7,9,19H,8H2
InChIKeyAOYBMZYXWASYKV-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.84
Rot. Bonds3

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

2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117137210) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117137210
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
SMILESO=Cc1cccn2nc(Cc3cccc(O)c3)nc12
InChIInChI=1S/C14H11N3O2/c18-9-11-4-2-6-17-14(11)15-13(16-17)8-10-3-1-5-12(19)7-10/h1-7,9,19H,8H2
InChIKeyAOYBMZYXWASYKV-UHFFFAOYSA-N
XLogP1.84
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.84
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 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde (CID 117137210) is 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is O=Cc1cccn2nc(Cc3cccc(O)c3)nc12.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is AOYBMZYXWASYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-9-11-4-2-6-17-14(11)15-13(16-17)8-10-3-1-5-12(19)7-10/h1-7,9,19H,8H2.
What are the key properties of 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde?
2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 253.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117137210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).