3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine

C12H11BrN2S — CID 107645873

IUPAC3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
SMILESCSc1ccccc1Nc1ccncc1Br
InChIInChI=1S/C12H11BrN2S/c1-16-12-5-3-2-4-11(12)15-10-6-7-14-8-9(10)13/h2-8H,1H3,(H,14,15)
InChIKeyFFSLVESXCUPGNM-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.31
Rot. Bonds3

About 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine

3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine (PubChem CID 107645873) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
PubChem CID107645873
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC Name3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
SMILESCSc1ccccc1Nc1ccncc1Br
InChIInChI=1S/C12H11BrN2S/c1-16-12-5-3-2-4-11(12)15-10-6-7-14-8-9(10)13/h2-8H,1H3,(H,14,15)
InChIKeyFFSLVESXCUPGNM-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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Related Compounds

3-bromo-N-phenylpyridin-4-amine
CID 10634327
1-N-(3-bromo-4-pyridinyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106760668
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
CID 104777924
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
5-bromo-4-methyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
CID 107645866
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
CID 104776934
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
CID 104777947
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
CID 113452139
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine (CID 107645873) is 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine is CSc1ccccc1Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine?
The InChIKey is FFSLVESXCUPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c1-16-12-5-3-2-4-11(12)15-10-6-7-14-8-9(10)13/h2-8H,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine?
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-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 3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine is sourced from PubChem (CID 107645873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).