3-thiophen-2-ylpyridine-2-carbaldehyde

C10H7NOS — CID 86594751

IUPAC3-thiophen-2-ylpyridine-2-carbaldehyde
SMILESO=Cc1ncccc1-c1cccs1
InChIInChI=1S/C10H7NOS/c12-7-9-8(3-1-5-11-9)10-4-2-6-13-10/h1-7H
InChIKeyXJWGCQUCNYCUSA-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.62
Rot. Bonds2

About 3-thiophen-2-ylpyridine-2-carbaldehyde

3-thiophen-2-ylpyridine-2-carbaldehyde (PubChem CID 86594751) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-thiophen-2-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-thiophen-2-ylpyridine-2-carbaldehyde
PubChem CID86594751
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name3-thiophen-2-ylpyridine-2-carbaldehyde
SMILESO=Cc1ncccc1-c1cccs1
InChIInChI=1S/C10H7NOS/c12-7-9-8(3-1-5-11-9)10-4-2-6-13-10/h1-7H
InChIKeyXJWGCQUCNYCUSA-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.62
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 3-thiophen-2-ylpyridine-2-carbaldehyde?
The IUPAC name of 3-thiophen-2-ylpyridine-2-carbaldehyde (CID 86594751) is 3-thiophen-2-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-thiophen-2-ylpyridine-2-carbaldehyde?
The canonical SMILES for 3-thiophen-2-ylpyridine-2-carbaldehyde is O=Cc1ncccc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-ylpyridine-2-carbaldehyde?
The InChIKey is XJWGCQUCNYCUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-7-9-8(3-1-5-11-9)10-4-2-6-13-10/h1-7H.
What are the key properties of 3-thiophen-2-ylpyridine-2-carbaldehyde?
3-thiophen-2-ylpyridine-2-carbaldehyde has a molecular weight of 189.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 86594751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).