8-bromo-[1,2,4]triazolo[4,3-a]pyridine

C6H4BrN3 — CID 54595855

IUPAC8-bromo-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cccn2cnnc12
InChIInChI=1S/C6H4BrN3/c7-5-2-1-3-10-4-8-9-6(5)10/h1-4H
InChIKeyVGXAZVRSJKLGGG-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.49
Rot. Bonds

About 8-bromo-[1,2,4]triazolo[4,3-a]pyridine

8-bromo-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 54595855) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 8-bromo-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-bromo-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID54595855
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name8-bromo-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1cccn2cnnc12
InChIInChI=1S/C6H4BrN3/c7-5-2-1-3-10-4-8-9-6(5)10/h1-4H
InChIKeyVGXAZVRSJKLGGG-UHFFFAOYSA-N
XLogP1.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-bromo-[1,2,4]triazolo[4,3-a]pyridine (CID 54595855) is 8-bromo-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-bromo-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-bromo-[1,2,4]triazolo[4,3-a]pyridine is Brc1cccn2cnnc12.
What is the InChIKey of 8-bromo-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VGXAZVRSJKLGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-5-2-1-3-10-4-8-9-6(5)10/h1-4H.
What are the key properties of 8-bromo-[1,2,4]triazolo[4,3-a]pyridine?
8-bromo-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 198.02 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 54595855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).