2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H7BrF3N3O — CID 126674393

IUPAC2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cccn3nc(Br)nc23)c1
InChIInChI=1S/C13H7BrF3N3O/c14-12-18-11-10(5-2-6-20(11)19-12)8-3-1-4-9(7-8)21-13(15,16)17/h1-7H
InChIKeyGDASSJCXBNBZPX-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.06
Rot. Bonds2

About 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 126674393) has the molecular formula C13H7BrF3N3O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID126674393
Molecular FormulaC13H7BrF3N3O
Molecular Weight358.12 g/mol
Exact Mass356.97
IUPAC Name2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cccn3nc(Br)nc23)c1
InChIInChI=1S/C13H7BrF3N3O/c14-12-18-11-10(5-2-6-20(11)19-12)8-3-1-4-9(7-8)21-13(15,16)17/h1-7H
InChIKeyGDASSJCXBNBZPX-UHFFFAOYSA-N
XLogP4.06
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 126674393) is 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)Oc1cccc(-c2cccn3nc(Br)nc23)c1.
What is the InChIKey of 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GDASSJCXBNBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3O/c14-12-18-11-10(5-2-6-20(11)19-12)8-3-1-4-9(7-8)21-13(15,16)17/h1-7H.
What are the key properties of 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 358.12 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 126674393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).