5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol

C14H9BrN2OS — CID 127032647

IUPAC5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol
SMILESOc1ccc(Br)c2ccc(Sc3ccccn3)nc12
InChIInChI=1S/C14H9BrN2OS/c15-10-5-6-11(18)14-9(10)4-7-13(17-14)19-12-3-1-2-8-16-12/h1-8,18H
InChIKeyJUDLGUDRICMCBW-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.25
Rot. Bonds2

About 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol

5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol (PubChem CID 127032647) has the molecular formula C14H9BrN2OS and a molecular weight of 333.21 g/mol. Its IUPAC name is 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol.

Molecular Properties

Compound Name5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol
PubChem CID127032647
Molecular FormulaC14H9BrN2OS
Molecular Weight333.21 g/mol
Exact Mass331.96
IUPAC Name5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol
SMILESOc1ccc(Br)c2ccc(Sc3ccccn3)nc12
InChIInChI=1S/C14H9BrN2OS/c15-10-5-6-11(18)14-9(10)4-7-13(17-14)19-12-3-1-2-8-16-12/h1-8,18H
InChIKeyJUDLGUDRICMCBW-UHFFFAOYSA-N
XLogP4.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol?
The IUPAC name of 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol (CID 127032647) is 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol.
What is the SMILES notation for 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol?
The canonical SMILES for 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol is Oc1ccc(Br)c2ccc(Sc3ccccn3)nc12.
What is the InChIKey of 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol?
The InChIKey is JUDLGUDRICMCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS/c15-10-5-6-11(18)14-9(10)4-7-13(17-14)19-12-3-1-2-8-16-12/h1-8,18H.
What are the key properties of 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol?
5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol has a molecular weight of 333.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyridin-2-ylsulfanylquinolin-8-ol is sourced from PubChem (CID 127032647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).