5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine

C12H11BrN2S — CID 104531457

IUPAC5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine
SMILESCSc1ccc(Nc2cncc(Br)c2)cc1
InChIInChI=1S/C12H11BrN2S/c1-16-12-4-2-10(3-5-12)15-11-6-9(13)7-14-8-11/h2-8,15H,1H3
InChIKeyIJUFWDGAHPWZOY-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.31
Rot. Bonds3

About 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine

5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine (PubChem CID 104531457) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine
PubChem CID104531457
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Name5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine
SMILESCSc1ccc(Nc2cncc(Br)c2)cc1
InChIInChI=1S/C12H11BrN2S/c1-16-12-4-2-10(3-5-12)15-11-6-9(13)7-14-8-11/h2-8,15H,1H3
InChIKeyIJUFWDGAHPWZOY-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine (CID 104531457) is 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine is CSc1ccc(Nc2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine?
The InChIKey is IJUFWDGAHPWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c1-16-12-4-2-10(3-5-12)15-11-6-9(13)7-14-8-11/h2-8,15H,1H3.
What are the key properties of 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine?
5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine has a molecular weight of 295.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylsulfanylphenyl)pyridin-3-amine is sourced from PubChem (CID 104531457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).