5-(4-bromophenyl)sulfanylpyridin-2-amine

C11H9BrN2S — CID 43345331

IUPAC5-(4-bromophenyl)sulfanylpyridin-2-amine
SMILESNc1ccc(Sc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H9BrN2S/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14)
InChIKeyQQPYLIADCOZTCS-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.58
Rot. Bonds2

About 5-(4-bromophenyl)sulfanylpyridin-2-amine

5-(4-bromophenyl)sulfanylpyridin-2-amine (PubChem CID 43345331) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfanylpyridin-2-amine
PubChem CID43345331
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name5-(4-bromophenyl)sulfanylpyridin-2-amine
SMILESNc1ccc(Sc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H9BrN2S/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14)
InChIKeyQQPYLIADCOZTCS-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-(4-bromophenyl)sulfanylpyridin-2-amine?
The IUPAC name of 5-(4-bromophenyl)sulfanylpyridin-2-amine (CID 43345331) is 5-(4-bromophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for 5-(4-bromophenyl)sulfanylpyridin-2-amine is Nc1ccc(Sc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromophenyl)sulfanylpyridin-2-amine?
The InChIKey is QQPYLIADCOZTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14).
What are the key properties of 5-(4-bromophenyl)sulfanylpyridin-2-amine?
5-(4-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 5-(4-bromophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 43345331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).