6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde

C14H13NO2S — CID 80640763

IUPAC6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde
SMILESCOc1cccc(Sc2ncc(C=O)cc2C)c1
InChIInChI=1S/C14H13NO2S/c1-10-6-11(9-16)8-15-14(10)18-13-5-3-4-12(7-13)17-2/h3-9H,1-2H3
InChIKeySNXOJYPYACKXAC-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.36
Rot. Bonds4

About 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde

6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde (PubChem CID 80640763) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde
PubChem CID80640763
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde
SMILESCOc1cccc(Sc2ncc(C=O)cc2C)c1
InChIInChI=1S/C14H13NO2S/c1-10-6-11(9-16)8-15-14(10)18-13-5-3-4-12(7-13)17-2/h3-9H,1-2H3
InChIKeySNXOJYPYACKXAC-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde (CID 80640763) is 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde is COc1cccc(Sc2ncc(C=O)cc2C)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde?
The InChIKey is SNXOJYPYACKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10-6-11(9-16)8-15-14(10)18-13-5-3-4-12(7-13)17-2/h3-9H,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde?
6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde has a molecular weight of 259.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80640763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).