2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

C19H11F3N2O2S — CID 2728489

IUPAC2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1OCC(=O)c1ccccc1
InChIInChI=1S/C19H11F3N2O2S/c20-19(21,22)14-9-15(17-7-4-8-27-17)24-18(13(14)10-23)26-11-16(25)12-5-2-1-3-6-12/h1-9H,11H2
InChIKeyIURQWKDIDIXWNF-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.96
Rot. Bonds5

About 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2728489) has the molecular formula C19H11F3N2O2S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2728489
Molecular FormulaC19H11F3N2O2S
Molecular Weight388.37 g/mol
Exact Mass388.05
IUPAC Name2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1OCC(=O)c1ccccc1
InChIInChI=1S/C19H11F3N2O2S/c20-19(21,22)14-9-15(17-7-4-8-27-17)24-18(13(14)10-23)26-11-16(25)12-5-2-1-3-6-12/h1-9H,11H2
InChIKeyIURQWKDIDIXWNF-UHFFFAOYSA-N
XLogP4.96
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2728489) is 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1OCC(=O)c1ccccc1.
What is the InChIKey of 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IURQWKDIDIXWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2S/c20-19(21,22)14-9-15(17-7-4-8-27-17)24-18(13(14)10-23)26-11-16(25)12-5-2-1-3-6-12/h1-9H,11H2.
What are the key properties of 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 388.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacyloxy-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2728489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).