3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole

C16H11F3N2 — CID 44531082

IUPAC3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2c(C=Cc3ccncc3)c[nH]c2c1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)13-3-4-14-12(10-21-15(14)9-13)2-1-11-5-7-20-8-6-11/h1-10,21H
InChIKeyYRKSARBKDGHCQA-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.75
Rot. Bonds2

About 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole

3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole (PubChem CID 44531082) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole
PubChem CID44531082
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2c(C=Cc3ccncc3)c[nH]c2c1
InChIInChI=1S/C16H11F3N2/c17-16(18,19)13-3-4-14-12(10-21-15(14)9-13)2-1-11-5-7-20-8-6-11/h1-10,21H
InChIKeyYRKSARBKDGHCQA-UHFFFAOYSA-N
XLogP4.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole (CID 44531082) is 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole is FC(F)(F)c1ccc2c(C=Cc3ccncc3)c[nH]c2c1.
What is the InChIKey of 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole?
The InChIKey is YRKSARBKDGHCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)13-3-4-14-12(10-21-15(14)9-13)2-1-11-5-7-20-8-6-11/h1-10,21H.
What are the key properties of 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole?
3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole has a molecular weight of 288.27 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylethenyl)-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 44531082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).