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

C10H7BrF5N3O — CID 129216777

IUPAC2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(OCC(F)(F)C(F)(F)F)c2nc(Br)nn12
InChIInChI=1S/C10H7BrF5N3O/c1-5-2-3-6(7-17-8(11)18-19(5)7)20-4-9(12,13)10(14,15)16/h2-3H,4H2,1H3
InChIKeyAWEBOJDWBVHJQA-UHFFFAOYSA-N
MW360.08 g/mol
LogP3.38
Rot. Bonds3

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

2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 129216777) has the molecular formula C10H7BrF5N3O and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID129216777
Molecular FormulaC10H7BrF5N3O
Molecular Weight360.08 g/mol
Exact Mass358.97
IUPAC Name2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(OCC(F)(F)C(F)(F)F)c2nc(Br)nn12
InChIInChI=1S/C10H7BrF5N3O/c1-5-2-3-6(7-17-8(11)18-19(5)7)20-4-9(12,13)10(14,15)16/h2-3H,4H2,1H3
InChIKeyAWEBOJDWBVHJQA-UHFFFAOYSA-N
XLogP3.38
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 129216777) is 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(OCC(F)(F)C(F)(F)F)c2nc(Br)nn12.
What is the InChIKey of 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AWEBOJDWBVHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF5N3O/c1-5-2-3-6(7-17-8(11)18-19(5)7)20-4-9(12,13)10(14,15)16/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine?
2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 360.08 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 129216777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).