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

C8H6FN3O2 — CID 165493438

IUPAC2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid
SMILESO=C(O)C(F)c1ccc2nncn2c1
InChIInChI=1S/C8H6FN3O2/c9-7(8(13)14)5-1-2-6-11-10-4-12(6)3-5/h1-4,7H,(H,13,14)
InChIKeyXRKUNWAQADGOFA-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.82
Rot. Bonds2

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

2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid (PubChem CID 165493438) has the molecular formula C8H6FN3O2 and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid
PubChem CID165493438
Molecular FormulaC8H6FN3O2
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid
SMILESO=C(O)C(F)c1ccc2nncn2c1
InChIInChI=1S/C8H6FN3O2/c9-7(8(13)14)5-1-2-6-11-10-4-12(6)3-5/h1-4,7H,(H,13,14)
InChIKeyXRKUNWAQADGOFA-UHFFFAOYSA-N
XLogP0.82
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid?
The IUPAC name of 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid (CID 165493438) is 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid is O=C(O)C(F)c1ccc2nncn2c1.
What is the InChIKey of 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid?
The InChIKey is XRKUNWAQADGOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O2/c9-7(8(13)14)5-1-2-6-11-10-4-12(6)3-5/h1-4,7H,(H,13,14).
What are the key properties of 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid?
2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid has a molecular weight of 195.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetic acid is sourced from PubChem (CID 165493438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).