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

C13H16BrF3N2 — CID 106796000

IUPAC5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCC1CCCC1
InChIInChI=1S/C13H16BrF3N2/c14-10-7-11(13(15,16)17)12(19-8-10)18-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,18,19)
InChIKeyWAQIGYSVRMDXBW-UHFFFAOYSA-N
MW337.18 g/mol
LogP4.86
Rot. Bonds4

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

5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796000) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796000
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCC1CCCC1
InChIInChI=1S/C13H16BrF3N2/c14-10-7-11(13(15,16)17)12(19-8-10)18-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,18,19)
InChIKeyWAQIGYSVRMDXBW-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
5-bromo-3-methyl-N-[2-(oxan-4-yl)ethyl]pyridin-2-amine
CID 115148665
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106796000) is 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCC1CCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WAQIGYSVRMDXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c14-10-7-11(13(15,16)17)12(19-8-10)18-6-5-9-3-1-2-4-9/h7-9H,1-6H2,(H,18,19).
What are the key properties of 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 337.18 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).