5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine

C13H13BrN2S — CID 107645866

IUPAC5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
SMILESCSc1ccccc1Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN2S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h3-8H,1-2H3,(H,15,16)
InChIKeyLZMBSLGNYIUUKY-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine

5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine (PubChem CID 107645866) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
PubChem CID107645866
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
SMILESCSc1ccccc1Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H13BrN2S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h3-8H,1-2H3,(H,15,16)
InChIKeyLZMBSLGNYIUUKY-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
CID 107643430
5-bromo-N-(2-ethylphenyl)-4-methylpyridin-2-amine
CID 114870208
5-bromo-N-(2-bromo-4-fluorophenyl)-4-methylpyridin-2-amine
CID 114870130
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 114870498
5-bromo-N-(5-tert-butyl-2-methylphenyl)-4-methylpyridin-2-amine
CID 115146961
5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
CID 107638028
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263243

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine (CID 107645866) is 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine is CSc1ccccc1Nc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The InChIKey is LZMBSLGNYIUUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine has a molecular weight of 309.23 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine is sourced from PubChem (CID 107645866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).