6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one

C15H11FN2O2 — CID 58255547

IUPAC6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
SMILESO=C1COc2cc(-c3cncc(F)c3)cc3c2N1CC3
InChIInChI=1S/C15H11FN2O2/c16-12-4-11(6-17-7-12)10-3-9-1-2-18-14(19)8-20-13(5-10)15(9)18/h3-7H,1-2,8H2
InChIKeyPAYODHPBUHBRNX-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.17
Rot. Bonds1

About 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one

6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one (PubChem CID 58255547) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
PubChem CID58255547
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
SMILESO=C1COc2cc(-c3cncc(F)c3)cc3c2N1CC3
InChIInChI=1S/C15H11FN2O2/c16-12-4-11(6-17-7-12)10-3-9-1-2-18-14(19)8-20-13(5-10)15(9)18/h3-7H,1-2,8H2
InChIKeyPAYODHPBUHBRNX-UHFFFAOYSA-N
XLogP2.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one (CID 58255547) is 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one is O=C1COc2cc(-c3cncc(F)c3)cc3c2N1CC3.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
The InChIKey is PAYODHPBUHBRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-12-4-11(6-17-7-12)10-3-9-1-2-18-14(19)8-20-13(5-10)15(9)18/h3-7H,1-2,8H2.
What are the key properties of 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one has a molecular weight of 270.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one is sourced from PubChem (CID 58255547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).