2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

C15H9BrN4 — CID 151035533

IUPAC2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESBrc1ccc2nnc(-c3ccc4ccccc4n3)n2c1
InChIInChI=1S/C15H9BrN4/c16-11-6-8-14-18-19-15(20(14)9-11)13-7-5-10-3-1-2-4-12(10)17-13/h1-9H
InChIKeyMAZMLKMRPKBHTP-UHFFFAOYSA-N
MW325.17 g/mol
LogP3.71
Rot. Bonds1

About 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline

2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (PubChem CID 151035533) has the molecular formula C15H9BrN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
PubChem CID151035533
Molecular FormulaC15H9BrN4
Molecular Weight325.17 g/mol
Exact Mass324.00
IUPAC Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline
SMILESBrc1ccc2nnc(-c3ccc4ccccc4n3)n2c1
InChIInChI=1S/C15H9BrN4/c16-11-6-8-14-18-19-15(20(14)9-11)13-7-5-10-3-1-2-4-12(10)17-13/h1-9H
InChIKeyMAZMLKMRPKBHTP-UHFFFAOYSA-N
XLogP3.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline (CID 151035533) is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is Brc1ccc2nnc(-c3ccc4ccccc4n3)n2c1.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
The InChIKey is MAZMLKMRPKBHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4/c16-11-6-8-14-18-19-15(20(14)9-11)13-7-5-10-3-1-2-4-12(10)17-13/h1-9H.
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline?
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline has a molecular weight of 325.17 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 151035533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).