5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C9H7BrF3N3 — CID 165483009

IUPAC5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2nc(C(F)(F)F)nn2c(Br)c1C
InChIInChI=1S/C9H7BrF3N3/c1-4-3-6-14-8(9(11,12)13)15-16(6)7(10)5(4)2/h3H,1-2H3
InChIKeyHBUVFOKTEMJERD-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.13
Rot. Bonds

About 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165483009) has the molecular formula C9H7BrF3N3 and a molecular weight of 294.07 g/mol. Its IUPAC name is 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165483009
Molecular FormulaC9H7BrF3N3
Molecular Weight294.07 g/mol
Exact Mass292.98
IUPAC Name5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2nc(C(F)(F)F)nn2c(Br)c1C
InChIInChI=1S/C9H7BrF3N3/c1-4-3-6-14-8(9(11,12)13)15-16(6)7(10)5(4)2/h3H,1-2H3
InChIKeyHBUVFOKTEMJERD-UHFFFAOYSA-N
XLogP3.13
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 165483009) is 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2nc(C(F)(F)F)nn2c(Br)c1C.
What is the InChIKey of 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HBUVFOKTEMJERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3/c1-4-3-6-14-8(9(11,12)13)15-16(6)7(10)5(4)2/h3H,1-2H3.
What are the key properties of 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 294.07 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).