6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde

C9H4F3NOS — CID 125451453

IUPAC6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2ccc(C(F)(F)F)nc2s1
InChIInChI=1S/C9H4F3NOS/c10-9(11,12)7-2-1-5-3-6(4-14)15-8(5)13-7/h1-4H
InChIKeyBQNWKZWMNNOIJQ-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.13
Rot. Bonds1

About 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde

6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 125451453) has the molecular formula C9H4F3NOS and a molecular weight of 231.20 g/mol. Its IUPAC name is 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID125451453
Molecular FormulaC9H4F3NOS
Molecular Weight231.20 g/mol
Exact Mass231.00
IUPAC Name6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2ccc(C(F)(F)F)nc2s1
InChIInChI=1S/C9H4F3NOS/c10-9(11,12)7-2-1-5-3-6(4-14)15-8(5)13-7/h1-4H
InChIKeyBQNWKZWMNNOIJQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-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-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde (CID 125451453) is 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2ccc(C(F)(F)F)nc2s1.
What is the InChIKey of 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is BQNWKZWMNNOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NOS/c10-9(11,12)7-2-1-5-3-6(4-14)15-8(5)13-7/h1-4H.
What are the key properties of 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 231.20 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 125451453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).