2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C11H6BrN3O3 — CID 82566958

IUPAC2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C11H6BrN3O3/c12-8-5-4-7(18-8)10-13-9-3-1-2-6(11(16)17)15(9)14-10/h1-5H,(H,16,17)
InChIKeyXRLLOCCZFSNZIJ-UHFFFAOYSA-N
MW308.09 g/mol
LogP2.45
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82566958) has the molecular formula C11H6BrN3O3 and a molecular weight of 308.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82566958
Molecular FormulaC11H6BrN3O3
Molecular Weight308.09 g/mol
Exact Mass306.96
IUPAC Name2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C11H6BrN3O3/c12-8-5-4-7(18-8)10-13-9-3-1-2-6(11(16)17)15(9)14-10/h1-5H,(H,16,17)
InChIKeyXRLLOCCZFSNZIJ-UHFFFAOYSA-N
XLogP2.45
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromofuran-2-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117132460
2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566957
2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566921
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566924
2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 110455263
[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone
CID 18677483
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
2-(5-bromofuran-2-yl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566420
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257648
2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158379
methyl 2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567386
2-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117132360

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82566958) is 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(-c3ccc(Br)o3)nn12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is XRLLOCCZFSNZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O3/c12-8-5-4-7(18-8)10-13-9-3-1-2-6(11(16)17)15(9)14-10/h1-5H,(H,16,17).
What are the key properties of 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 308.09 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82566958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).