5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine

C12H14BrF3N2 — CID 106796396

IUPAC5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(Br)cc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H14BrF3N2/c1-7(8-3-2-4-8)18-11-10(12(14,15)16)5-9(13)6-17-11/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeySOGLFHUUZLQOIV-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.46
Rot. Bonds3

About 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796396) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796396
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(Br)cc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H14BrF3N2/c1-7(8-3-2-4-8)18-11-10(12(14,15)16)5-9(13)6-17-11/h5-8H,2-4H2,1H3,(H,17,18)
InChIKeySOGLFHUUZLQOIV-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795986
5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine
CID 115766716
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796396) is 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine is CC(Nc1ncc(Br)cc1C(F)(F)F)C1CCC1.
What is the InChIKey of 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SOGLFHUUZLQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c1-7(8-3-2-4-8)18-11-10(12(14,15)16)5-9(13)6-17-11/h5-8H,2-4H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 323.16 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).