5-pyridin-3-ylthiophene-2-carbaldehyde

C10H7NOS — CID 10899427

IUPAC5-pyridin-3-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccnc2)s1
InChIInChI=1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H
InChIKeyDIQWXENHCURRML-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.62
Rot. Bonds2

About 5-pyridin-3-ylthiophene-2-carbaldehyde

5-pyridin-3-ylthiophene-2-carbaldehyde (PubChem CID 10899427) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 5-pyridin-3-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-pyridin-3-ylthiophene-2-carbaldehyde
PubChem CID10899427
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name5-pyridin-3-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccnc2)s1
InChIInChI=1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H
InChIKeyDIQWXENHCURRML-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 5-pyridin-3-ylthiophene-2-carbaldehyde?
The IUPAC name of 5-pyridin-3-ylthiophene-2-carbaldehyde (CID 10899427) is 5-pyridin-3-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-pyridin-3-ylthiophene-2-carbaldehyde?
The canonical SMILES for 5-pyridin-3-ylthiophene-2-carbaldehyde is O=Cc1ccc(-c2cccnc2)s1.
What is the InChIKey of 5-pyridin-3-ylthiophene-2-carbaldehyde?
The InChIKey is DIQWXENHCURRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H.
What are the key properties of 5-pyridin-3-ylthiophene-2-carbaldehyde?
5-pyridin-3-ylthiophene-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 5-pyridin-3-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 10899427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).