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

C9H7N3O2 — CID 86678191

IUPAC6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
SMILESCc1nc(-c2ccc(C=O)cn2)no1
InChIInChI=1S/C9H7N3O2/c1-6-11-9(12-14-6)8-3-2-7(5-13)4-10-8/h2-5H,1H3
InChIKeyQRKCLPGEQPKYHH-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.25
Rot. Bonds2

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

6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde (PubChem CID 86678191) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
PubChem CID86678191
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde
SMILESCc1nc(-c2ccc(C=O)cn2)no1
InChIInChI=1S/C9H7N3O2/c1-6-11-9(12-14-6)8-3-2-7(5-13)4-10-8/h2-5H,1H3
InChIKeyQRKCLPGEQPKYHH-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 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde (CID 86678191) is 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde is Cc1nc(-c2ccc(C=O)cn2)no1.
What is the InChIKey of 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
The InChIKey is QRKCLPGEQPKYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-6-11-9(12-14-6)8-3-2-7(5-13)4-10-8/h2-5H,1H3.
What are the key properties of 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde?
6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-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 6-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 86678191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).