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

C13H8FN3O2 — CID 82566921

IUPAC2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H8FN3O2/c14-9-6-4-8(5-7-9)12-15-11-3-1-2-10(13(18)19)17(11)16-12/h1-7H,(H,18,19)
InChIKeyMVTGISOPHLVXKP-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.23
Rot. Bonds2

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

2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82566921) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82566921
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C13H8FN3O2/c14-9-6-4-8(5-7-9)12-15-11-3-1-2-10(13(18)19)17(11)16-12/h1-7H,(H,18,19)
InChIKeyMVTGISOPHLVXKP-UHFFFAOYSA-N
XLogP2.23
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82567352
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566924
2-(5-bromo-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566957
4-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127909
2-(4-fluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117133134
2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566958
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
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82566913
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117257648
2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255832

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82566921) is 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is MVTGISOPHLVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-9-6-4-8(5-7-9)12-15-11-3-1-2-10(13(18)19)17(11)16-12/h1-7H,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82566921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).