7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C7H3BrF3N3 — CID 74891411

IUPAC7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2cc(Br)ccn12
InChIInChI=1S/C7H3BrF3N3/c8-4-1-2-14-5(3-4)12-13-6(14)7(9,10)11/h1-3H
InChIKeyITGHKULKAFKZIA-UHFFFAOYSA-N
MW266.02 g/mol
LogP2.51
Rot. Bonds

About 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 74891411) has the molecular formula C7H3BrF3N3 and a molecular weight of 266.02 g/mol. Its IUPAC name is 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID74891411
Molecular FormulaC7H3BrF3N3
Molecular Weight266.02 g/mol
Exact Mass264.95
IUPAC Name7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1nnc2cc(Br)ccn12
InChIInChI=1S/C7H3BrF3N3/c8-4-1-2-14-5(3-4)12-13-6(14)7(9,10)11/h1-3H
InChIKeyITGHKULKAFKZIA-UHFFFAOYSA-N
XLogP2.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.02
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 74891411) is 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1nnc2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ITGHKULKAFKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N3/c8-4-1-2-14-5(3-4)12-13-6(14)7(9,10)11/h1-3H.
What are the key properties of 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 266.02 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 74891411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).