3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid

C9H9FN2O3 — CID 129188764

IUPAC3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1OCCC1c1ccc(F)nc1
InChIInChI=1S/C9H9FN2O3/c10-8-2-1-6(5-11-8)7-3-4-15-12(7)9(13)14/h1-2,5,7H,3-4H2,(H,13,14)
InChIKeyYPUFCMJCFAZSCK-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.58
Rot. Bonds1

About 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid

3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid (PubChem CID 129188764) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
PubChem CID129188764
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
SMILESO=C(O)N1OCCC1c1ccc(F)nc1
InChIInChI=1S/C9H9FN2O3/c10-8-2-1-6(5-11-8)7-3-4-15-12(7)9(13)14/h1-2,5,7H,3-4H2,(H,13,14)
InChIKeyYPUFCMJCFAZSCK-UHFFFAOYSA-N
XLogP1.58
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.58
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 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid (CID 129188764) is 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid is O=C(O)N1OCCC1c1ccc(F)nc1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
The InChIKey is YPUFCMJCFAZSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c10-8-2-1-6(5-11-8)7-3-4-15-12(7)9(13)14/h1-2,5,7H,3-4H2,(H,13,14).
What are the key properties of 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid?
3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid has a molecular weight of 212.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid is sourced from PubChem (CID 129188764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).