6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde

C11H9N3O2 — CID 90449355

IUPAC6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2noc(C3CC3)n2)nc1
InChIInChI=1S/C11H9N3O2/c15-6-7-1-4-9(12-5-7)10-13-11(16-14-10)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyYBUZCDDHTXFNSW-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.82
Rot. Bonds3

About 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde

6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde (PubChem CID 90449355) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
PubChem CID90449355
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2noc(C3CC3)n2)nc1
InChIInChI=1S/C11H9N3O2/c15-6-7-1-4-9(12-5-7)10-13-11(16-14-10)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyYBUZCDDHTXFNSW-UHFFFAOYSA-N
XLogP1.82
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
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 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde (CID 90449355) is 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde is O=Cc1ccc(-c2noc(C3CC3)n2)nc1.
What is the InChIKey of 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
The InChIKey is YBUZCDDHTXFNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-6-7-1-4-9(12-5-7)10-13-11(16-14-10)8-2-3-8/h1,4-6,8H,2-3H2.
What are the key properties of 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde has a molecular weight of 215.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 90449355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).