5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine

C15H11BrN2S — CID 55224154

IUPAC5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine
SMILESNc1cc(Br)cnc1Sc1ccc2ccccc2c1
InChIInChI=1S/C15H11BrN2S/c16-12-8-14(17)15(18-9-12)19-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,17H2
InChIKeyNAYOPKFYJNDODK-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.73
Rot. Bonds2

About 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine

5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine (PubChem CID 55224154) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine
PubChem CID55224154
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine
SMILESNc1cc(Br)cnc1Sc1ccc2ccccc2c1
InChIInChI=1S/C15H11BrN2S/c16-12-8-14(17)15(18-9-12)19-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,17H2
InChIKeyNAYOPKFYJNDODK-UHFFFAOYSA-N
XLogP4.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine?
The IUPAC name of 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine (CID 55224154) is 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine.
What is the SMILES notation for 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine?
The canonical SMILES for 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine is Nc1cc(Br)cnc1Sc1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine?
The InChIKey is NAYOPKFYJNDODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c16-12-8-14(17)15(18-9-12)19-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,17H2.
What are the key properties of 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine?
5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine has a molecular weight of 331.24 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-naphthalen-2-ylsulfanylpyridin-3-amine is sourced from PubChem (CID 55224154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).