5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine

C14H18BrF3N2 — CID 106795924

IUPAC5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCCCCCC1
InChIInChI=1S/C14H18BrF3N2/c15-10-8-12(14(16,17)18)13(19-9-10)20-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,19,20)
InChIKeyZCHDKRMCTPTZBY-UHFFFAOYSA-N
MW351.21 g/mol
LogP5.39
Rot. Bonds2

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

5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795924) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795924
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NC1CCCCCCC1
InChIInChI=1S/C14H18BrF3N2/c15-10-8-12(14(16,17)18)13(19-9-10)20-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,19,20)
InChIKeyZCHDKRMCTPTZBY-UHFFFAOYSA-N
XLogP5.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.21
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(oxan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795986
4-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 122059880
5-bromo-N-cyclohexyl-3-fluoropyridin-2-amine
CID 104923658
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-amine
CID 106796498
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
5-bromo-N-cyclobutyl-3-fluoropyridin-2-amine
CID 104924229
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylcyclobutane-1,3-diamine
CID 106797289
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine (CID 106795924) is 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NC1CCCCCCC1.
What is the InChIKey of 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZCHDKRMCTPTZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c15-10-8-12(14(16,17)18)13(19-9-10)20-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,19,20).
What are the key properties of 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 351.21 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).