2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole

C20H13F3N2S — CID 141247036

IUPAC2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2[nH]c(-c3ccncc3Sc3ccccc3)cc2c1
InChIInChI=1S/C20H13F3N2S/c21-20(22,23)14-6-7-17-13(10-14)11-18(25-17)16-8-9-24-12-19(16)26-15-4-2-1-3-5-15/h1-12,25H
InChIKeyWATXDFHNMFVGGC-UHFFFAOYSA-N
MW370.40 g/mol
LogP6.40
Rot. Bonds3

About 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole

2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (PubChem CID 141247036) has the molecular formula C20H13F3N2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
PubChem CID141247036
Molecular FormulaC20H13F3N2S
Molecular Weight370.40 g/mol
Exact Mass370.08
IUPAC Name2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2[nH]c(-c3ccncc3Sc3ccccc3)cc2c1
InChIInChI=1S/C20H13F3N2S/c21-20(22,23)14-6-7-17-13(10-14)11-18(25-17)16-8-9-24-12-19(16)26-15-4-2-1-3-5-15/h1-12,25H
InChIKeyWATXDFHNMFVGGC-UHFFFAOYSA-N
XLogP6.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
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
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
1-methyl-2-phenylsulfanyl-4-(trifluoromethyl)benzene
CID 66706526
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 141247042
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (CID 141247036) is 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is FC(F)(F)c1ccc2[nH]c(-c3ccncc3Sc3ccccc3)cc2c1.
What is the InChIKey of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The InChIKey is WATXDFHNMFVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2S/c21-20(22,23)14-6-7-17-13(10-14)11-18(25-17)16-8-9-24-12-19(16)26-15-4-2-1-3-5-15/h1-12,25H.
What are the key properties of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole has a molecular weight of 370.40 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141247036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).