4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde

C14H11NO2S — CID 11557934

IUPAC4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde
SMILESCSc1ccc(-c2cc(C=O)nc(C=O)c2)cc1
InChIInChI=1S/C14H11NO2S/c1-18-14-4-2-10(3-5-14)11-6-12(8-16)15-13(7-11)9-17/h2-9H,1H3
InChIKeyIYNSYAQCAIECEW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.10
Rot. Bonds4

About 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde

4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde (PubChem CID 11557934) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde
PubChem CID11557934
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde
SMILESCSc1ccc(-c2cc(C=O)nc(C=O)c2)cc1
InChIInChI=1S/C14H11NO2S/c1-18-14-4-2-10(3-5-14)11-6-12(8-16)15-13(7-11)9-17/h2-9H,1H3
InChIKeyIYNSYAQCAIECEW-UHFFFAOYSA-N
XLogP3.10
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.10
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 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde?
The IUPAC name of 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde (CID 11557934) is 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde?
The canonical SMILES for 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde is CSc1ccc(-c2cc(C=O)nc(C=O)c2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde?
The InChIKey is IYNSYAQCAIECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-18-14-4-2-10(3-5-14)11-6-12(8-16)15-13(7-11)9-17/h2-9H,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde?
4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde has a molecular weight of 257.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)pyridine-2,6-dicarbaldehyde is sourced from PubChem (CID 11557934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).