2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde

C11H9NOS — CID 88920036

IUPAC2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde
SMILESO=CCc1ccc(-c2ccncc2)s1
InChIInChI=1S/C11H9NOS/c13-8-5-10-1-2-11(14-10)9-3-6-12-7-4-9/h1-4,6-8H,5H2
InChIKeyUNXITDNAVSXHSE-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.55
Rot. Bonds3

About 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde

2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde (PubChem CID 88920036) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde
PubChem CID88920036
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde
SMILESO=CCc1ccc(-c2ccncc2)s1
InChIInChI=1S/C11H9NOS/c13-8-5-10-1-2-11(14-10)9-3-6-12-7-4-9/h1-4,6-8H,5H2
InChIKeyUNXITDNAVSXHSE-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-pyridin-4-ylthiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde (CID 88920036) is 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde is O=CCc1ccc(-c2ccncc2)s1.
What is the InChIKey of 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde?
The InChIKey is UNXITDNAVSXHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-8-5-10-1-2-11(14-10)9-3-6-12-7-4-9/h1-4,6-8H,5H2.
What are the key properties of 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde?
2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-4-ylthiophen-2-yl)acetaldehyde is sourced from PubChem (CID 88920036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).