2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C15H12F3N3S — CID 141247042

IUPAC2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCSc1cnccc1-c1cc2ccc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C15H12F3N3S/c1-2-22-12-8-19-6-5-10(12)11-7-9-3-4-13(15(16,17)18)21-14(9)20-11/h3-8H,2H2,1H3,(H,20,21)
InChIKeyLMHCFDRKKZUTKK-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.76
Rot. Bonds3

About 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141247042) has the molecular formula C15H12F3N3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID141247042
Molecular FormulaC15H12F3N3S
Molecular Weight323.34 g/mol
Exact Mass323.07
IUPAC Name2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCSc1cnccc1-c1cc2ccc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C15H12F3N3S/c1-2-22-12-8-19-6-5-10(12)11-7-9-3-4-13(15(16,17)18)21-14(9)20-11/h3-8H,2H2,1H3,(H,20,21)
InChIKeyLMHCFDRKKZUTKK-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 71603595
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 45073277
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
N-methyl-4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563377

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 141247042) is 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is CCSc1cnccc1-c1cc2ccc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LMHCFDRKKZUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3S/c1-2-22-12-8-19-6-5-10(12)11-7-9-3-4-13(15(16,17)18)21-14(9)20-11/h3-8H,2H2,1H3,(H,20,21).
What are the key properties of 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 323.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141247042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).