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

C9H7BrF3N3O — CID 129216781

IUPAC2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)CCOc1cccn2nc(Br)nc12
InChIInChI=1S/C9H7BrF3N3O/c10-8-14-7-6(2-1-4-16(7)15-8)17-5-3-9(11,12)13/h1-2,4H,3,5H2
InChIKeyNHRPUHHRADTMRC-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.82
Rot. Bonds3

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

2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 129216781) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID129216781
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC(F)(F)CCOc1cccn2nc(Br)nc12
InChIInChI=1S/C9H7BrF3N3O/c10-8-14-7-6(2-1-4-16(7)15-8)17-5-3-9(11,12)13/h1-2,4H,3,5H2
InChIKeyNHRPUHHRADTMRC-UHFFFAOYSA-N
XLogP2.82
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 129216781) is 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine is FC(F)(F)CCOc1cccn2nc(Br)nc12.
What is the InChIKey of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NHRPUHHRADTMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c10-8-14-7-6(2-1-4-16(7)15-8)17-5-3-9(11,12)13/h1-2,4H,3,5H2.
What are the key properties of 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 310.07 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(3,3,3-trifluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 129216781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).