2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole

C16H10F6N2S — CID 141247087

IUPAC2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)CSc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H10F6N2S/c17-15(18,19)8-25-14-7-23-4-3-11(14)13-6-9-5-10(16(20,21)22)1-2-12(9)24-13/h1-7,24H,8H2
InChIKeyLUZWIKJRIMXQIG-UHFFFAOYSA-N
MW376.33 g/mol
LogP5.90
Rot. Bonds3

About 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole

2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole (PubChem CID 141247087) has the molecular formula C16H10F6N2S and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
PubChem CID141247087
Molecular FormulaC16H10F6N2S
Molecular Weight376.33 g/mol
Exact Mass376.05
IUPAC Name2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)CSc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H10F6N2S/c17-15(18,19)8-25-14-7-23-4-3-11(14)13-6-9-5-10(16(20,21)22)1-2-12(9)24-13/h1-7,24H,8H2
InChIKeyLUZWIKJRIMXQIG-UHFFFAOYSA-N
XLogP5.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 141247042
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
2-(2,2,2-trifluoroethylsulfanyl)-5-(trifluoromethyl)aniline
CID 43134972
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole (CID 141247087) is 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole is FC(F)(F)CSc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
The InChIKey is LUZWIKJRIMXQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2S/c17-15(18,19)8-25-14-7-23-4-3-11(14)13-6-9-5-10(16(20,21)22)1-2-12(9)24-13/h1-7,24H,8H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole?
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole has a molecular weight of 376.33 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141247087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).