3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate

C14H14FN2O4- — CID 59455413

IUPAC3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate
SMILESO=C([O-])C1CCC2(CC1)CN(c1cccc(F)n1)C(=O)O2
InChIInChI=1S/C14H15FN2O4/c15-10-2-1-3-11(16-10)17-8-14(21-13(17)20)6-4-9(5-7-14)12(18)19/h1-3,9H,4-8H2,(H,18,19)/p-1
InChIKeyITSIRBPFNRSYIB-UHFFFAOYSA-M
MW293.27 g/mol
LogP0.86
Rot. Bonds2

About 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate

3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate (PubChem CID 59455413) has the molecular formula C14H14FN2O4- and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate
PubChem CID59455413
Molecular FormulaC14H14FN2O4-
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate
SMILESO=C([O-])C1CCC2(CC1)CN(c1cccc(F)n1)C(=O)O2
InChIInChI=1S/C14H15FN2O4/c15-10-2-1-3-11(16-10)17-8-14(21-13(17)20)6-4-9(5-7-14)12(18)19/h1-3,9H,4-8H2,(H,18,19)/p-1
InChIKeyITSIRBPFNRSYIB-UHFFFAOYSA-M
XLogP0.86
TPSA82.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate (CID 59455413) is 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate is O=C([O-])C1CCC2(CC1)CN(c1cccc(F)n1)C(=O)O2.
What is the InChIKey of 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is ITSIRBPFNRSYIB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15FN2O4/c15-10-2-1-3-11(16-10)17-8-14(21-13(17)20)6-4-9(5-7-14)12(18)19/h1-3,9H,4-8H2,(H,18,19)/p-1.
What are the key properties of 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate?
3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 293.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-pyridinyl)-2-oxo-1-oxa-3-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 59455413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).