5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine

C8H8BrF3N2 — CID 59177221

IUPAC5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine
SMILESCCNc1cc(C(F)(F)F)ncc1Br
InChIInChI=1S/C8H8BrF3N2/c1-2-13-6-3-7(8(10,11)12)14-4-5(6)9/h3-4H,2H2,1H3,(H,13,14)
InChIKeyHLXZEPYVIIMTOU-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine

5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 59177221) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine
PubChem CID59177221
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine
SMILESCCNc1cc(C(F)(F)F)ncc1Br
InChIInChI=1S/C8H8BrF3N2/c1-2-13-6-3-7(8(10,11)12)14-4-5(6)9/h3-4H,2H2,1H3,(H,13,14)
InChIKeyHLXZEPYVIIMTOU-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine (CID 59177221) is 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine is CCNc1cc(C(F)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HLXZEPYVIIMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c1-2-13-6-3-7(8(10,11)12)14-4-5(6)9/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine?
5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 269.06 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 59177221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).