5-bromo-2-phenylsulfanylpyridin-3-amine

C11H9BrN2S — CID 61228876

IUPAC5-bromo-2-phenylsulfanylpyridin-3-amine
SMILESNc1cc(Br)cnc1Sc1ccccc1
InChIInChI=1S/C11H9BrN2S/c12-8-6-10(13)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H,13H2
InChIKeyXVWGZKSIMBHUEF-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.58
Rot. Bonds2

About 5-bromo-2-phenylsulfanylpyridin-3-amine

5-bromo-2-phenylsulfanylpyridin-3-amine (PubChem CID 61228876) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 5-bromo-2-phenylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-phenylsulfanylpyridin-3-amine
PubChem CID61228876
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name5-bromo-2-phenylsulfanylpyridin-3-amine
SMILESNc1cc(Br)cnc1Sc1ccccc1
InChIInChI=1S/C11H9BrN2S/c12-8-6-10(13)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H,13H2
InChIKeyXVWGZKSIMBHUEF-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylsulfanylpyridin-3-amine?
The IUPAC name of 5-bromo-2-phenylsulfanylpyridin-3-amine (CID 61228876) is 5-bromo-2-phenylsulfanylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-phenylsulfanylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-phenylsulfanylpyridin-3-amine is Nc1cc(Br)cnc1Sc1ccccc1.
What is the InChIKey of 5-bromo-2-phenylsulfanylpyridin-3-amine?
The InChIKey is XVWGZKSIMBHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-8-6-10(13)11(14-7-8)15-9-4-2-1-3-5-9/h1-7H,13H2.
What are the key properties of 5-bromo-2-phenylsulfanylpyridin-3-amine?
5-bromo-2-phenylsulfanylpyridin-3-amine has a molecular weight of 281.18 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylsulfanylpyridin-3-amine is sourced from PubChem (CID 61228876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).