5-bromo-6-propylsulfanylpyridin-3-amine

C8H11BrN2S — CID 79534596

IUPAC5-bromo-6-propylsulfanylpyridin-3-amine
SMILESCCCSc1ncc(N)cc1Br
InChIInChI=1S/C8H11BrN2S/c1-2-3-12-8-7(9)4-6(10)5-11-8/h4-5H,2-3,10H2,1H3
InChIKeyBSNOVNJKYSDOQH-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.93
Rot. Bonds3

About 5-bromo-6-propylsulfanylpyridin-3-amine

5-bromo-6-propylsulfanylpyridin-3-amine (PubChem CID 79534596) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 5-bromo-6-propylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-propylsulfanylpyridin-3-amine
PubChem CID79534596
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name5-bromo-6-propylsulfanylpyridin-3-amine
SMILESCCCSc1ncc(N)cc1Br
InChIInChI=1S/C8H11BrN2S/c1-2-3-12-8-7(9)4-6(10)5-11-8/h4-5H,2-3,10H2,1H3
InChIKeyBSNOVNJKYSDOQH-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propylsulfanylpyridin-3-amine?
The IUPAC name of 5-bromo-6-propylsulfanylpyridin-3-amine (CID 79534596) is 5-bromo-6-propylsulfanylpyridin-3-amine.
What is the SMILES notation for 5-bromo-6-propylsulfanylpyridin-3-amine?
The canonical SMILES for 5-bromo-6-propylsulfanylpyridin-3-amine is CCCSc1ncc(N)cc1Br.
What is the InChIKey of 5-bromo-6-propylsulfanylpyridin-3-amine?
The InChIKey is BSNOVNJKYSDOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c1-2-3-12-8-7(9)4-6(10)5-11-8/h4-5H,2-3,10H2,1H3.
What are the key properties of 5-bromo-6-propylsulfanylpyridin-3-amine?
5-bromo-6-propylsulfanylpyridin-3-amine has a molecular weight of 247.16 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propylsulfanylpyridin-3-amine is sourced from PubChem (CID 79534596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).