2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine

C6H3Br2N3 — CID 59276455

IUPAC2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1nc2cccc(Br)n2n1
InChIInChI=1S/C6H3Br2N3/c7-4-2-1-3-5-9-6(8)10-11(4)5/h1-3H
InChIKeyPZVCETWDOYKKIM-UHFFFAOYSA-N
MW276.92 g/mol
LogP2.25
Rot. Bonds

About 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine

2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59276455) has the molecular formula C6H3Br2N3 and a molecular weight of 276.92 g/mol. Its IUPAC name is 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59276455
Molecular FormulaC6H3Br2N3
Molecular Weight276.92 g/mol
Exact Mass274.87
IUPAC Name2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1nc2cccc(Br)n2n1
InChIInChI=1S/C6H3Br2N3/c7-4-2-1-3-5-9-6(8)10-11(4)5/h1-3H
InChIKeyPZVCETWDOYKKIM-UHFFFAOYSA-N
XLogP2.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.92
LogP ≤ 52.25
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 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine (CID 59276455) is 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine is Brc1nc2cccc(Br)n2n1.
What is the InChIKey of 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PZVCETWDOYKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2N3/c7-4-2-1-3-5-9-6(8)10-11(4)5/h1-3H.
What are the key properties of 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine?
2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 276.92 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59276455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).