2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

C12H6FN3O3 — CID 114218218

IUPAC2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccncc3F)nc2n1
InChIInChI=1S/C12H6FN3O3/c13-7-5-14-4-3-6(7)11-16-10-9(19-11)2-1-8(15-10)12(17)18/h1-5H,(H,17,18)
InChIKeyAHRRKVQQHKAFND-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218218) has the molecular formula C12H6FN3O3 and a molecular weight of 259.20 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218218
Molecular FormulaC12H6FN3O3
Molecular Weight259.20 g/mol
Exact Mass259.04
IUPAC Name2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3ccncc3F)nc2n1
InChIInChI=1S/C12H6FN3O3/c13-7-5-14-4-3-6(7)11-16-10-9(19-11)2-1-8(15-10)12(17)18/h1-5H,(H,17,18)
InChIKeyAHRRKVQQHKAFND-UHFFFAOYSA-N
XLogP2.12
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218218) is 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(-c3ccncc3F)nc2n1.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is AHRRKVQQHKAFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN3O3/c13-7-5-14-4-3-6(7)11-16-10-9(19-11)2-1-8(15-10)12(17)18/h1-5H,(H,17,18).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 259.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).