8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C8H5BrF3N3 — CID 83791604

IUPAC8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2c(Br)cc(C(F)(F)F)cn12
InChIInChI=1S/C8H5BrF3N3/c1-4-13-14-7-6(9)2-5(3-15(4)7)8(10,11)12/h2-3H,1H3
InChIKeyFFEXABQRJWXJHE-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.82
Rot. Bonds

About 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83791604) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83791604
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2c(Br)cc(C(F)(F)F)cn12
InChIInChI=1S/C8H5BrF3N3/c1-4-13-14-7-6(9)2-5(3-15(4)7)8(10,11)12/h2-3H,1H3
InChIKeyFFEXABQRJWXJHE-UHFFFAOYSA-N
XLogP2.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 83791604) is 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2c(Br)cc(C(F)(F)F)cn12.
What is the InChIKey of 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FFEXABQRJWXJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c1-4-13-14-7-6(9)2-5(3-15(4)7)8(10,11)12/h2-3H,1H3.
What are the key properties of 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 280.05 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83791604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).