2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C13H7BrFN3O2 — CID 82566957

IUPAC2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3cc(Br)ccc3F)nn12
InChIInChI=1S/C13H7BrFN3O2/c14-7-4-5-9(15)8(6-7)12-16-11-3-1-2-10(13(19)20)18(11)17-12/h1-6H,(H,19,20)
InChIKeyRUKLDGSZMOXLLX-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.00
Rot. Bonds2

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

2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82566957) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82566957
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3cc(Br)ccc3F)nn12
InChIInChI=1S/C13H7BrFN3O2/c14-7-4-5-9(15)8(6-7)12-16-11-3-1-2-10(13(19)20)18(11)17-12/h1-6H,(H,19,20)
InChIKeyRUKLDGSZMOXLLX-UHFFFAOYSA-N
XLogP3.00
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 82973858
methyl 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 82567133
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566924
7-(5-bromo-2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84610446
2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117158379
2-acetamido-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 110455263
2-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257662
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
CID 79743488
3-(5-bromo-2-fluorophenyl)-2-methylbenzoic acid
CID 79743232
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
2-(5-bromo-2-fluorophenyl)-8-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566597
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257648

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82566957) is 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(-c3cc(Br)ccc3F)nn12.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is RUKLDGSZMOXLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-7-4-5-9(15)8(6-7)12-16-11-3-1-2-10(13(19)20)18(11)17-12/h1-6H,(H,19,20).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 336.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82566957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).