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

C9H7N3O2 — CID 173090735

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde
SMILESCc1nc(-c2cc(C=O)ccn2)no1
InChIInChI=1S/C9H7N3O2/c1-6-11-9(12-14-6)8-4-7(5-13)2-3-10-8/h2-5H,1H3
InChIKeyAYSZJVNESACBGH-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.25
Rot. Bonds2

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde (PubChem CID 173090735) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde
PubChem CID173090735
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde
SMILESCc1nc(-c2cc(C=O)ccn2)no1
InChIInChI=1S/C9H7N3O2/c1-6-11-9(12-14-6)8-4-7(5-13)2-3-10-8/h2-5H,1H3
InChIKeyAYSZJVNESACBGH-UHFFFAOYSA-N
XLogP1.25
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.25
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 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde (CID 173090735) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde is Cc1nc(-c2cc(C=O)ccn2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde?
The InChIKey is AYSZJVNESACBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-6-11-9(12-14-6)8-4-7(5-13)2-3-10-8/h2-5H,1H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde?
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 173090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).