5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde

C15H11F3N4O3S — CID 155730508

IUPAC5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
SMILESCCS(=O)(=O)c1cnc(-c2nc3cc(C(F)(F)F)ccn3n2)c(C=O)c1
InChIInChI=1S/C15H11F3N4O3S/c1-2-26(24,25)11-5-9(8-23)13(19-7-11)14-20-12-6-10(15(16,17)18)3-4-22(12)21-14/h3-8H,2H2,1H3
InChIKeyOYEYXDGJZVQESD-UHFFFAOYSA-N
MW384.34 g/mol
LogP2.42
Rot. Bonds4

About 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde

5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde (PubChem CID 155730508) has the molecular formula C15H11F3N4O3S and a molecular weight of 384.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
PubChem CID155730508
Molecular FormulaC15H11F3N4O3S
Molecular Weight384.34 g/mol
Exact Mass384.05
IUPAC Name5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
SMILESCCS(=O)(=O)c1cnc(-c2nc3cc(C(F)(F)F)ccn3n2)c(C=O)c1
InChIInChI=1S/C15H11F3N4O3S/c1-2-26(24,25)11-5-9(8-23)13(19-7-11)14-20-12-6-10(15(16,17)18)3-4-22(12)21-14/h3-8H,2H2,1H3
InChIKeyOYEYXDGJZVQESD-UHFFFAOYSA-N
XLogP2.42
TPSA94.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde?
The IUPAC name of 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde (CID 155730508) is 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde is CCS(=O)(=O)c1cnc(-c2nc3cc(C(F)(F)F)ccn3n2)c(C=O)c1.
What is the InChIKey of 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde?
The InChIKey is OYEYXDGJZVQESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S/c1-2-26(24,25)11-5-9(8-23)13(19-7-11)14-20-12-6-10(15(16,17)18)3-4-22(12)21-14/h3-8H,2H2,1H3.
What are the key properties of 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde?
5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde has a molecular weight of 384.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 155730508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).