5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine

C8H9BrF3N — CID 130416817

IUPAC5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine
SMILESCCN1C=C(Br)C=C(C(F)(F)F)C1
InChIInChI=1S/C8H9BrF3N/c1-2-13-4-6(8(10,11)12)3-7(9)5-13/h3,5H,2,4H2,1H3
InChIKeyHSEXXWWBNUATGO-UHFFFAOYSA-N
MW256.06 g/mol
LogP3.05
Rot. Bonds1

About 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine

5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine (PubChem CID 130416817) has the molecular formula C8H9BrF3N and a molecular weight of 256.06 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine
PubChem CID130416817
Molecular FormulaC8H9BrF3N
Molecular Weight256.06 g/mol
Exact Mass254.99
IUPAC Name5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine
SMILESCCN1C=C(Br)C=C(C(F)(F)F)C1
InChIInChI=1S/C8H9BrF3N/c1-2-13-4-6(8(10,11)12)3-7(9)5-13/h3,5H,2,4H2,1H3
InChIKeyHSEXXWWBNUATGO-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine (CID 130416817) is 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine is CCN1C=C(Br)C=C(C(F)(F)F)C1.
What is the InChIKey of 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is HSEXXWWBNUATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N/c1-2-13-4-6(8(10,11)12)3-7(9)5-13/h3,5H,2,4H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine?
5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 256.06 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 130416817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).