3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C13H8FN3O2 — CID 82380497

IUPAC3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)12-16-15-11-7-9(13(18)19)5-6-17(11)12/h1-7H,(H,18,19)
InChIKeyLRCMBTOMVPPQIK-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.23
Rot. Bonds2

About 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 82380497) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID82380497
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc(F)cc3)nnc2c1
InChIInChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)12-16-15-11-7-9(13(18)19)5-6-17(11)12/h1-7H,(H,18,19)
InChIKeyLRCMBTOMVPPQIK-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 82380497) is 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(-c3ccc(F)cc3)nnc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is LRCMBTOMVPPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-10-3-1-8(2-4-10)12-16-15-11-7-9(13(18)19)5-6-17(11)12/h1-7H,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-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 3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82380497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).