5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine

C8H4BrF3N4 — CID 106797313

IUPAC5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1-n1cncn1
InChIInChI=1S/C8H4BrF3N4/c9-5-1-6(8(10,11)12)7(14-2-5)16-4-13-3-15-16/h1-4H
InChIKeyLWYNHKWKOWKBAB-UHFFFAOYSA-N
MW293.05 g/mol
LogP2.44
Rot. Bonds1

About 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine

5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 106797313) has the molecular formula C8H4BrF3N4 and a molecular weight of 293.05 g/mol. Its IUPAC name is 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID106797313
Molecular FormulaC8H4BrF3N4
Molecular Weight293.05 g/mol
Exact Mass291.96
IUPAC Name5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1-n1cncn1
InChIInChI=1S/C8H4BrF3N4/c9-5-1-6(8(10,11)12)7(14-2-5)16-4-13-3-15-16/h1-4H
InChIKeyLWYNHKWKOWKBAB-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.05
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine (CID 106797313) is 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)cnc1-n1cncn1.
What is the InChIKey of 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is LWYNHKWKOWKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N4/c9-5-1-6(8(10,11)12)7(14-2-5)16-4-13-3-15-16/h1-4H.
What are the key properties of 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine?
5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 293.05 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 106797313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).