6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone

C13H15FN2O2 — CID 155543870

IUPAC6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H15FN2O2/c14-9-6-10(17)11(15-7-9)12(18)16-5-4-13(8-16)2-1-3-13/h6-7,17H,1-5,8H2
InChIKeyOUNLLLORDXCWJW-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.94
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone

6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone (PubChem CID 155543870) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone
PubChem CID155543870
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncc(F)cc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H15FN2O2/c14-9-6-10(17)11(15-7-9)12(18)16-5-4-13(8-16)2-1-3-13/h6-7,17H,1-5,8H2
InChIKeyOUNLLLORDXCWJW-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone (CID 155543870) is 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone is O=C(c1ncc(F)cc1O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone?
The InChIKey is OUNLLLORDXCWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-9-6-10(17)11(15-7-9)12(18)16-5-4-13(8-16)2-1-3-13/h6-7,17H,1-5,8H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone?
6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone has a molecular weight of 250.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(5-fluoro-3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 155543870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).