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

C8H9FN2O — CID 129188732

IUPAC3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine
SMILESFc1ccc(C2CCON2)cn1
InChIInChI=1S/C8H9FN2O/c9-8-2-1-6(5-10-8)7-3-4-12-11-7/h1-2,5,7,11H,3-4H2
InChIKeyFBTYVMFFJWOWQY-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.19
Rot. Bonds1

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

3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine (PubChem CID 129188732) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine.

Molecular Properties

Compound Name3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine
PubChem CID129188732
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine
SMILESFc1ccc(C2CCON2)cn1
InChIInChI=1S/C8H9FN2O/c9-8-2-1-6(5-10-8)7-3-4-12-11-7/h1-2,5,7,11H,3-4H2
InChIKeyFBTYVMFFJWOWQY-UHFFFAOYSA-N
XLogP1.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.19
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?
The IUPAC name of 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine (CID 129188732) is 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine.
What is the SMILES notation for 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine?
The canonical SMILES for 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine is Fc1ccc(C2CCON2)cn1.
What is the InChIKey of 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine?
The InChIKey is FBTYVMFFJWOWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-8-2-1-6(5-10-8)7-3-4-12-11-7/h1-2,5,7,11H,3-4H2.
What are the key properties of 3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine?
3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine has a molecular weight of 168.17 g/mol, XLogP of 1.19, 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 is sourced from PubChem (CID 129188732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).