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

C13H15ClN2O2 — CID 155532306

IUPAC6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncc(Cl)cc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H15ClN2O2/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
InChIKeyZIYYBDPJTSXAFA-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.46
Rot. Bonds1

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

6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone (PubChem CID 155532306) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone
PubChem CID155532306
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncc(Cl)cc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H15ClN2O2/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
InChIKeyZIYYBDPJTSXAFA-UHFFFAOYSA-N
XLogP2.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.46
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-chloro-3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone (CID 155532306) is 6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone is O=C(c1ncc(Cl)cc1O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone?
The InChIKey is ZIYYBDPJTSXAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/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-chloro-3-hydroxy-2-pyridinyl)methanone?
6-azaspiro[3.4]octan-6-yl-(5-chloro-3-hydroxy-2-pyridinyl)methanone has a molecular weight of 266.73 g/mol, XLogP of 2.46, 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-chloro-3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 155532306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).