5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H14BrF3N2S — CID 106796371

IUPAC5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCSCCC(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H14BrF3N2S/c1-7(3-4-18-2)17-10-9(11(13,14)15)5-8(12)6-16-10/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyZCWHLUGUQBAKPR-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.42
Rot. Bonds5

About 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796371) has the molecular formula C11H14BrF3N2S and a molecular weight of 343.21 g/mol. Its IUPAC name is 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796371
Molecular FormulaC11H14BrF3N2S
Molecular Weight343.21 g/mol
Exact Mass342.00
IUPAC Name5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCSCCC(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H14BrF3N2S/c1-7(3-4-18-2)17-10-9(11(13,14)15)5-8(12)6-16-10/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyZCWHLUGUQBAKPR-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
5-bromo-N-(4-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 115714993
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
1-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107153440
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796371) is 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is CSCCC(C)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZCWHLUGUQBAKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2S/c1-7(3-4-18-2)17-10-9(11(13,14)15)5-8(12)6-16-10/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 343.21 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).