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

C11H7BrN4 — CID 139230150

IUPAC3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc(-c2nnc3ccccn23)nc1
InChIInChI=1S/C11H7BrN4/c12-8-4-5-9(13-7-8)11-15-14-10-3-1-2-6-16(10)11/h1-7H
InChIKeyVUMLDVLWEJVLHL-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.55
Rot. Bonds1

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

3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 139230150) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID139230150
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc(-c2nnc3ccccn23)nc1
InChIInChI=1S/C11H7BrN4/c12-8-4-5-9(13-7-8)11-15-14-10-3-1-2-6-16(10)11/h1-7H
InChIKeyVUMLDVLWEJVLHL-UHFFFAOYSA-N
XLogP2.55
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 139230150) is 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc(-c2nnc3ccccn23)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VUMLDVLWEJVLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-8-4-5-9(13-7-8)11-15-14-10-3-1-2-6-16(10)11/h1-7H.
What are the key properties of 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 275.11 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 139230150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).