5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane

C10H11BrF6N2 — CID 145391575

IUPAC5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane
SMILESCC.FC(F)(F)CNc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C8H5BrF6N2.C2H6/c9-5-2-16-6(17-3-7(10,11)12)1-4(5)8(13,14)15;1-2/h1-2H,3H2,(H,16,17);1-2H3
InChIKeyYRYLBVLWEHRWME-UHFFFAOYSA-N
MW353.10 g/mol
LogP4.86
Rot. Bonds2

About 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane

5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane (PubChem CID 145391575) has the molecular formula C10H11BrF6N2 and a molecular weight of 353.10 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane
PubChem CID145391575
Molecular FormulaC10H11BrF6N2
Molecular Weight353.10 g/mol
Exact Mass352.00
IUPAC Name5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane
SMILESCC.FC(F)(F)CNc1cc(C(F)(F)F)c(Br)cn1
InChIInChI=1S/C8H5BrF6N2.C2H6/c9-5-2-16-6(17-3-7(10,11)12)1-4(5)8(13,14)15;1-2/h1-2H,3H2,(H,16,17);1-2H3
InChIKeyYRYLBVLWEHRWME-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane (CID 145391575) is 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane is CC.FC(F)(F)CNc1cc(C(F)(F)F)c(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane?
The InChIKey is YRYLBVLWEHRWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF6N2.C2H6/c9-5-2-16-6(17-3-7(10,11)12)1-4(5)8(13,14)15;1-2/h1-2H,3H2,(H,16,17);1-2H3.
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane?
5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane has a molecular weight of 353.10 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane is sourced from PubChem (CID 145391575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).