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

C9H4F3NOS — CID 125453614

IUPAC4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(C(F)(F)F)ccnc2s1
InChIInChI=1S/C9H4F3NOS/c10-9(11,12)7-1-2-13-8-6(7)3-5(4-14)15-8/h1-4H
InChIKeyMLDCSYBDGPDYOG-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.13
Rot. Bonds1

About 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde

4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 125453614) has the molecular formula C9H4F3NOS and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID125453614
Molecular FormulaC9H4F3NOS
Molecular Weight231.20 g/mol
Exact Mass231.00
IUPAC Name4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(C(F)(F)F)ccnc2s1
InChIInChI=1S/C9H4F3NOS/c10-9(11,12)7-1-2-13-8-6(7)3-5(4-14)15-8/h1-4H
InChIKeyMLDCSYBDGPDYOG-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde (CID 125453614) is 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2c(C(F)(F)F)ccnc2s1.
What is the InChIKey of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is MLDCSYBDGPDYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NOS/c10-9(11,12)7-1-2-13-8-6(7)3-5(4-14)15-8/h1-4H.
What are the key properties of 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde?
4-(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 4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 125453614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).