2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid

C9H7FN2O2 — CID 83878679

IUPAC2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1ncc2cccc(F)n12
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-2-6-5-11-8(12(6)7)4-9(13)14/h1-3,5H,4H2,(H,13,14)
InChIKeyXEQKRRZCXNITKT-UHFFFAOYSA-N
MW194.17 g/mol
LogP1.10
Rot. Bonds2

About 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid

2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 83878679) has the molecular formula C9H7FN2O2 and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID83878679
Molecular FormulaC9H7FN2O2
Molecular Weight194.17 g/mol
Exact Mass194.05
IUPAC Name2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESO=C(O)Cc1ncc2cccc(F)n12
InChIInChI=1S/C9H7FN2O2/c10-7-3-1-2-6-5-11-8(12(6)7)4-9(13)14/h1-3,5H,4H2,(H,13,14)
InChIKeyXEQKRRZCXNITKT-UHFFFAOYSA-N
XLogP1.10
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 83878679) is 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid is O=C(O)Cc1ncc2cccc(F)n12.
What is the InChIKey of 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is XEQKRRZCXNITKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-3-1-2-6-5-11-8(12(6)7)4-9(13)14/h1-3,5H,4H2,(H,13,14).
What are the key properties of 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 194.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 83878679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).