3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde

C15H19F3N4O2Si — CID 175892649

IUPAC3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1c(-c2cccnc2C=O)nnc1C(F)(F)F
InChIInChI=1S/C15H19F3N4O2Si/c1-25(2,3)8-7-24-10-22-13(20-21-14(22)15(16,17)18)11-5-4-6-19-12(11)9-23/h4-6,9H,7-8,10H2,1-3H3
InChIKeyLJKAZBKBLFOFQZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.48
Rot. Bonds7

About 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde

3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde (PubChem CID 175892649) has the molecular formula C15H19F3N4O2Si and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde
PubChem CID175892649
Molecular FormulaC15H19F3N4O2Si
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1c(-c2cccnc2C=O)nnc1C(F)(F)F
InChIInChI=1S/C15H19F3N4O2Si/c1-25(2,3)8-7-24-10-22-13(20-21-14(22)15(16,17)18)11-5-4-6-19-12(11)9-23/h4-6,9H,7-8,10H2,1-3H3
InChIKeyLJKAZBKBLFOFQZ-UHFFFAOYSA-N
XLogP3.48
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-5-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridin-3-amine
CID 175927146
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
3-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbaldehyde
CID 133093647
1-(2-trimethylsilylethoxymethyl)pyrrole-3-carbaldehyde
CID 91103274
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
trimethyl-[2-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl]silane
CID 150281377
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
4-(2-pyridin-3-ylethenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbaldehyde
CID 76695337

Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde?
The IUPAC name of 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde (CID 175892649) is 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde is C[Si](C)(C)CCOCn1c(-c2cccnc2C=O)nnc1C(F)(F)F.
What is the InChIKey of 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde?
The InChIKey is LJKAZBKBLFOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2Si/c1-25(2,3)8-7-24-10-22-13(20-21-14(22)15(16,17)18)11-5-4-6-19-12(11)9-23/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde?
3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde has a molecular weight of 372.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 175892649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).