2-bromo-5-pyridin-2-ylsulfanylpyrazine

C9H6BrN3S — CID 130540741

IUPAC2-bromo-5-pyridin-2-ylsulfanylpyrazine
SMILESBrc1cnc(Sc2ccccn2)cn1
InChIInChI=1S/C9H6BrN3S/c10-7-5-13-9(6-12-7)14-8-3-1-2-4-11-8/h1-6H
InChIKeyJSKNRWIGXHFLAN-UHFFFAOYSA-N
MW268.14 g/mol
LogP2.79
Rot. Bonds2

About 2-bromo-5-pyridin-2-ylsulfanylpyrazine

2-bromo-5-pyridin-2-ylsulfanylpyrazine (PubChem CID 130540741) has the molecular formula C9H6BrN3S and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-bromo-5-pyridin-2-ylsulfanylpyrazine.

Molecular Properties

Compound Name2-bromo-5-pyridin-2-ylsulfanylpyrazine
PubChem CID130540741
Molecular FormulaC9H6BrN3S
Molecular Weight268.14 g/mol
Exact Mass266.95
IUPAC Name2-bromo-5-pyridin-2-ylsulfanylpyrazine
SMILESBrc1cnc(Sc2ccccn2)cn1
InChIInChI=1S/C9H6BrN3S/c10-7-5-13-9(6-12-7)14-8-3-1-2-4-11-8/h1-6H
InChIKeyJSKNRWIGXHFLAN-UHFFFAOYSA-N
XLogP2.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-pyridin-2-ylsulfanylpyridin-3-amine
CID 103519134
3,4-bis(pyridin-2-ylsulfanyl)pyrrole-2,5-dione
CID 66927458
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
5-bromo-4-methyl-6-pyridin-2-ylsulfanylpyridin-3-amine
CID 104507614
2-bromo(212C)pyridine
CID 126713665
3-bromo-8-pyridin-2-ylsulfanylquinolin-5-amine
CID 106949945
2-sulfidosulfanylpyridine
CID 102510943
2-hydroxysulfanylpyridine
CID 12046445
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pyridin-2-ylsulfanylpyrazine?
The IUPAC name of 2-bromo-5-pyridin-2-ylsulfanylpyrazine (CID 130540741) is 2-bromo-5-pyridin-2-ylsulfanylpyrazine.
What is the SMILES notation for 2-bromo-5-pyridin-2-ylsulfanylpyrazine?
The canonical SMILES for 2-bromo-5-pyridin-2-ylsulfanylpyrazine is Brc1cnc(Sc2ccccn2)cn1.
What is the InChIKey of 2-bromo-5-pyridin-2-ylsulfanylpyrazine?
The InChIKey is JSKNRWIGXHFLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3S/c10-7-5-13-9(6-12-7)14-8-3-1-2-4-11-8/h1-6H.
What are the key properties of 2-bromo-5-pyridin-2-ylsulfanylpyrazine?
2-bromo-5-pyridin-2-ylsulfanylpyrazine has a molecular weight of 268.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pyridin-2-ylsulfanylpyrazine is sourced from PubChem (CID 130540741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).