3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one

C13H15FN2O2 — CID 68761038

IUPAC3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1c1cccnc1F
InChIInChI=1S/C13H15FN2O2/c14-11-10(5-4-8-15-11)16-9-13(18-12(16)17)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2
InChIKeyQQAXEKBWNKXGTM-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.88
Rot. Bonds1

About 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one

3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 68761038) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID68761038
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1c1cccnc1F
InChIInChI=1S/C13H15FN2O2/c14-11-10(5-4-8-15-11)16-9-13(18-12(16)17)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2
InChIKeyQQAXEKBWNKXGTM-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
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-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one (CID 68761038) is 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCCCC2)CN1c1cccnc1F.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is QQAXEKBWNKXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-10(5-4-8-15-11)16-9-13(18-12(16)17)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one?
3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 250.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 68761038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).