6-(3-bromophenyl)sulfanylpyridin-2-amine

C11H9BrN2S — CID 80652450

IUPAC6-(3-bromophenyl)sulfanylpyridin-2-amine
SMILESNc1cccc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H9BrN2S/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H,(H2,13,14)
InChIKeyIRXDOMYJBVYTGV-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.58
Rot. Bonds2

About 6-(3-bromophenyl)sulfanylpyridin-2-amine

6-(3-bromophenyl)sulfanylpyridin-2-amine (PubChem CID 80652450) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanylpyridin-2-amine
PubChem CID80652450
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name6-(3-bromophenyl)sulfanylpyridin-2-amine
SMILESNc1cccc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C11H9BrN2S/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H,(H2,13,14)
InChIKeyIRXDOMYJBVYTGV-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 6-(3-bromophenyl)sulfanylpyridin-2-amine?
The IUPAC name of 6-(3-bromophenyl)sulfanylpyridin-2-amine (CID 80652450) is 6-(3-bromophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfanylpyridin-2-amine is Nc1cccc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanylpyridin-2-amine?
The InChIKey is IRXDOMYJBVYTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H,(H2,13,14).
What are the key properties of 6-(3-bromophenyl)sulfanylpyridin-2-amine?
6-(3-bromophenyl)sulfanylpyridin-2-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 6-(3-bromophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 80652450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).