6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

C16H14N2O2 — CID 52936939

IUPAC6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(-c3cncc(O)c3)cc3c2N1CC3
InChIInChI=1S/C16H14N2O2/c19-14-7-13(8-17-9-14)12-5-10-1-2-15(20)18-4-3-11(6-12)16(10)18/h5-9,19H,1-4H2
InChIKeyQHOAINDIUONOKC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.29
Rot. Bonds1

About 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one

6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (PubChem CID 52936939) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.

Molecular Properties

Compound Name6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
PubChem CID52936939
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
SMILESO=C1CCc2cc(-c3cncc(O)c3)cc3c2N1CC3
InChIInChI=1S/C16H14N2O2/c19-14-7-13(8-17-9-14)12-5-10-1-2-15(20)18-4-3-11(6-12)16(10)18/h5-9,19H,1-4H2
InChIKeyQHOAINDIUONOKC-UHFFFAOYSA-N
XLogP2.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The IUPAC name of 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one (CID 52936939) is 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one.
What is the SMILES notation for 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The canonical SMILES for 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is O=C1CCc2cc(-c3cncc(O)c3)cc3c2N1CC3.
What is the InChIKey of 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
The InChIKey is QHOAINDIUONOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-14-7-13(8-17-9-14)12-5-10-1-2-15(20)18-4-3-11(6-12)16(10)18/h5-9,19H,1-4H2.
What are the key properties of 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one?
6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one has a molecular weight of 266.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hydroxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one is sourced from PubChem (CID 52936939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).