5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde

C10H11NO2S — CID 80640287

IUPAC5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1SC1COC1
InChIInChI=1S/C10H11NO2S/c1-7-2-8(4-12)3-11-10(7)14-9-5-13-6-9/h2-4,9H,5-6H2,1H3
InChIKeySYCYMXRWRWWDGB-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.69
Rot. Bonds3

About 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde

5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde (PubChem CID 80640287) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde
PubChem CID80640287
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1SC1COC1
InChIInChI=1S/C10H11NO2S/c1-7-2-8(4-12)3-11-10(7)14-9-5-13-6-9/h2-4,9H,5-6H2,1H3
InChIKeySYCYMXRWRWWDGB-UHFFFAOYSA-N
XLogP1.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde (CID 80640287) is 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1SC1COC1.
What is the InChIKey of 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde?
The InChIKey is SYCYMXRWRWWDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-2-8(4-12)3-11-10(7)14-9-5-13-6-9/h2-4,9H,5-6H2,1H3.
What are the key properties of 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde?
5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde has a molecular weight of 209.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80640287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).