2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone

C13H9BrN4O — CID 158107588

IUPAC2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1nc2ccc(Br)cn2n1)c1cccnc1
InChIInChI=1S/C13H9BrN4O/c14-10-3-4-13-16-12(17-18(13)8-10)6-11(19)9-2-1-5-15-7-9/h1-5,7-8H,6H2
InChIKeyFQALYQLDQYGECF-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.31
Rot. Bonds3

About 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone (PubChem CID 158107588) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone
PubChem CID158107588
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone
SMILESO=C(Cc1nc2ccc(Br)cn2n1)c1cccnc1
InChIInChI=1S/C13H9BrN4O/c14-10-3-4-13-16-12(17-18(13)8-10)6-11(19)9-2-1-5-15-7-9/h1-5,7-8H,6H2
InChIKeyFQALYQLDQYGECF-UHFFFAOYSA-N
XLogP2.31
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-1-pyridin-3-ylethanone
CID 60797587
6-bromo-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257760
ethane;N-(6-methylimidazo[1,2-b]pyridazin-2-yl)pyridine-3-carboxamide
CID 143620151
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186
2-(azepan-1-ylmethyl)-6-bromo-[1,2,4]triazolo[1,5-a]pyridine
CID 117257708
2-oxo-2-pyridin-3-ylethanesulfonyl chloride
CID 98464535
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
1-(5-bromo-1-benzofuran-2-yl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321355
2-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylethanone
CID 58047690
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone (CID 158107588) is 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone is O=C(Cc1nc2ccc(Br)cn2n1)c1cccnc1.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone?
The InChIKey is FQALYQLDQYGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-3-4-13-16-12(17-18(13)8-10)6-11(19)9-2-1-5-15-7-9/h1-5,7-8H,6H2.
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone?
2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone has a molecular weight of 317.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 158107588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).