5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid

C12H7FN4O2 — CID 151101926

IUPAC5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2nnc3ccccn23)n1
InChIInChI=1S/C12H7FN4O2/c13-7-4-5-8(12(18)19)14-10(7)11-16-15-9-3-1-2-6-17(9)11/h1-6H,(H,18,19)
InChIKeyMOHKKRHJICHNJH-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.63
Rot. Bonds2

About 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid

5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid (PubChem CID 151101926) has the molecular formula C12H7FN4O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid
PubChem CID151101926
Molecular FormulaC12H7FN4O2
Molecular Weight258.21 g/mol
Exact Mass258.06
IUPAC Name5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2nnc3ccccn23)n1
InChIInChI=1S/C12H7FN4O2/c13-7-4-5-8(12(18)19)14-10(7)11-16-15-9-3-1-2-6-17(9)11/h1-6H,(H,18,19)
InChIKeyMOHKKRHJICHNJH-UHFFFAOYSA-N
XLogP1.63
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid (CID 151101926) is 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(-c2nnc3ccccn23)n1.
What is the InChIKey of 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid?
The InChIKey is MOHKKRHJICHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2/c13-7-4-5-8(12(18)19)14-10(7)11-16-15-9-3-1-2-6-17(9)11/h1-6H,(H,18,19).
What are the key properties of 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid?
5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 151101926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).