6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde

C14H10F3NOS — CID 143311329

IUPAC6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(CSc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-6-13(7-10)20-9-12-5-2-4-11(8-19)18-12/h1-8H,9H2
InChIKeyGLHBLGFFBGNHMX-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.21
Rot. Bonds4

About 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde

6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde (PubChem CID 143311329) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde
PubChem CID143311329
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde
SMILESO=Cc1cccc(CSc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-6-13(7-10)20-9-12-5-2-4-11(8-19)18-12/h1-8H,9H2
InChIKeyGLHBLGFFBGNHMX-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.21
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 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde?
The IUPAC name of 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde (CID 143311329) is 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde?
The canonical SMILES for 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde is O=Cc1cccc(CSc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde?
The InChIKey is GLHBLGFFBGNHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)10-3-1-6-13(7-10)20-9-12-5-2-4-11(8-19)18-12/h1-8H,9H2.
What are the key properties of 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde?
6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde has a molecular weight of 297.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 143311329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).