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

C11H7N3O2 — CID 117143617

IUPAC3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(-c3ccco3)nnc2c1
InChIInChI=1S/C11H7N3O2/c15-7-8-3-4-14-10(6-8)12-13-11(14)9-2-1-5-16-9/h1-7H
InChIKeyOQDFIMJBQYTNEF-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.80
Rot. Bonds2

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

3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 117143617) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID117143617
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESO=Cc1ccn2c(-c3ccco3)nnc2c1
InChIInChI=1S/C11H7N3O2/c15-7-8-3-4-14-10(6-8)12-13-11(14)9-2-1-5-16-9/h1-7H
InChIKeyOQDFIMJBQYTNEF-UHFFFAOYSA-N
XLogP1.80
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.80
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

3-(3-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143683
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
6-bromo-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 82379941
7-bromo-3-(furan-2-yl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743759
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143667
5-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141884
3-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143568
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 117143547
3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138682
4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde
CID 145124285
3,6-bis(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 655862
pyrazolo[1,5-a]pyridine-5-carbaldehyde
CID 10986375

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 117143617) is 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is O=Cc1ccn2c(-c3ccco3)nnc2c1.
What is the InChIKey of 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is OQDFIMJBQYTNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-7-8-3-4-14-10(6-8)12-13-11(14)9-2-1-5-16-9/h1-7H.
What are the key properties of 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 213.20 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).