5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine

C12H10BrF3N2S — CID 106795936

IUPAC5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCc1cccs1
InChIInChI=1S/C12H10BrF3N2S/c13-8-6-10(12(14,15)16)11(18-7-8)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyIEJXWYPJHRCQKB-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.58
Rot. Bonds4

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

5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795936) has the molecular formula C12H10BrF3N2S and a molecular weight of 351.19 g/mol. Its IUPAC name is 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795936
Molecular FormulaC12H10BrF3N2S
Molecular Weight351.19 g/mol
Exact Mass349.97
IUPAC Name5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCc1cccs1
InChIInChI=1S/C12H10BrF3N2S/c13-8-6-10(12(14,15)16)11(18-7-8)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18)
InChIKeyIEJXWYPJHRCQKB-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
5-bromo-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)aniline
CID 107285876
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796222
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine (CID 106795936) is 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCc1cccs1.
What is the InChIKey of 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IEJXWYPJHRCQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2S/c13-8-6-10(12(14,15)16)11(18-7-8)17-4-3-9-2-1-5-19-9/h1-2,5-7H,3-4H2,(H,17,18).
What are the key properties of 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 351.19 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).