2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine

C15H12BrF3N4S2 — CID 138497914

IUPAC2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(Br)cnc1-c1nc2cc(SC(F)(F)F)ncc2n1C
InChIInChI=1S/C15H12BrF3N4S2/c1-3-24-11-4-8(16)6-21-13(11)14-22-9-5-12(25-15(17,18)19)20-7-10(9)23(14)2/h4-7H,3H2,1-2H3
InChIKeyUYKDUWDDGFLWGR-UHFFFAOYSA-N
MW449.32 g/mol
LogP5.52
Rot. Bonds4

About 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine

2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine (PubChem CID 138497914) has the molecular formula C15H12BrF3N4S2 and a molecular weight of 449.32 g/mol. Its IUPAC name is 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
PubChem CID138497914
Molecular FormulaC15H12BrF3N4S2
Molecular Weight449.32 g/mol
Exact Mass447.96
IUPAC Name2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine
SMILESCCSc1cc(Br)cnc1-c1nc2cc(SC(F)(F)F)ncc2n1C
InChIInChI=1S/C15H12BrF3N4S2/c1-3-24-11-4-8(16)6-21-13(11)14-22-9-5-12(25-15(17,18)19)20-7-10(9)23(14)2/h4-7H,3H2,1-2H3
InChIKeyUYKDUWDDGFLWGR-UHFFFAOYSA-N
XLogP5.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.32
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine (CID 138497914) is 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine is CCSc1cc(Br)cnc1-c1nc2cc(SC(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine?
The InChIKey is UYKDUWDDGFLWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N4S2/c1-3-24-11-4-8(16)6-21-13(11)14-22-9-5-12(25-15(17,18)19)20-7-10(9)23(14)2/h4-7H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine?
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine has a molecular weight of 449.32 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-3-methyl-6-(trifluoromethylsulfanyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 138497914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).