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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001078
2-Amino-4-(trifluoromethyl)pyridine
CID 2778315
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
HI-240
CID 3001767
1-(5-Bromo-2-pyridyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 3001770
2-Amino-5-bromo-4-methylpyridine
CID 817695
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 11218492
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529

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).