3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole

C15H11F3N2S — CID 122230357

IUPAC3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole
SMILESCc1c(SC(F)(F)F)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C15H11F3N2S/c1-10-11-6-2-3-7-12(11)20(13-8-4-5-9-19-13)14(10)21-15(16,17)18/h2-9H,1H3
InChIKeyJLELFDWVVQSHPG-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.95
Rot. Bonds2

About 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole

3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole (PubChem CID 122230357) has the molecular formula C15H11F3N2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole.

Molecular Properties

Compound Name3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole
PubChem CID122230357
Molecular FormulaC15H11F3N2S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole
SMILESCc1c(SC(F)(F)F)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C15H11F3N2S/c1-10-11-6-2-3-7-12(11)20(13-8-4-5-9-19-13)14(10)21-15(16,17)18/h2-9H,1H3
InChIKeyJLELFDWVVQSHPG-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,11,13-tetramethyl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 141760863
11,13-Dimethyl-6-pyrrolidin-1-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 141760870
2-[(2-Fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
CID 649231
2-Ethyl-7-[4-methylsulfanyl-2-(trifluoromethyl)phenyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44458931
3-[2-(5-fluoro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 60147996
6-[6-[Ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184471
N-[(2-methyl-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]pyridin-2-amine
CID 3447990
5-(6-fluoro-1H-indol-3-yl)-N,N-dimethylpyridin-2-amine
CID 118293001
4-(butylsulfanyl)-7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 3596182
3-(1,3-benzothiazol-2-yl)-N,N-dimethyl-2-pyridinamine
CID 1488406
5-(1,2-Dimethylindol-3-yl)-1,3-thiazol-2-amine
CID 127031636
1-Methylpyrido(2,3-b)indole
CID 186102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole?
The IUPAC name of 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole (CID 122230357) is 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole.
What is the SMILES notation for 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole?
The canonical SMILES for 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole is Cc1c(SC(F)(F)F)n(-c2ccccn2)c2ccccc12.
What is the InChIKey of 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole?
The InChIKey is JLELFDWVVQSHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2S/c1-10-11-6-2-3-7-12(11)20(13-8-4-5-9-19-13)14(10)21-15(16,17)18/h2-9H,1H3.
What are the key properties of 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole?
3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole has a molecular weight of 308.33 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-2-yl-2-(trifluoromethylsulfanyl)indole is sourced from PubChem (CID 122230357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).