5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol

C23H23FN2O2 — CID 164521938

IUPAC5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol
SMILESOc1cc(C2CCN3CCCC23COc2ccccn2)c2c(F)cccc2c1
InChIInChI=1S/C23H23FN2O2/c24-20-6-3-5-16-13-17(27)14-18(22(16)20)19-8-12-26-11-4-9-23(19,26)15-28-21-7-1-2-10-25-21/h1-3,5-7,10,13-14,19,27H,4,8-9,11-12,15H2
InChIKeyQMCADXKAIKLUKY-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.48
Rot. Bonds4

About 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol

5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol (PubChem CID 164521938) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol
PubChem CID164521938
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol
SMILESOc1cc(C2CCN3CCCC23COc2ccccn2)c2c(F)cccc2c1
InChIInChI=1S/C23H23FN2O2/c24-20-6-3-5-16-13-17(27)14-18(22(16)20)19-8-12-26-11-4-9-23(19,26)15-28-21-7-1-2-10-25-21/h1-3,5-7,10,13-14,19,27H,4,8-9,11-12,15H2
InChIKeyQMCADXKAIKLUKY-UHFFFAOYSA-N
XLogP4.48
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol?
The IUPAC name of 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol (CID 164521938) is 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol.
What is the SMILES notation for 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol?
The canonical SMILES for 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol is Oc1cc(C2CCN3CCCC23COc2ccccn2)c2c(F)cccc2c1.
What is the InChIKey of 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol?
The InChIKey is QMCADXKAIKLUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-6-3-5-16-13-17(27)14-18(22(16)20)19-8-12-26-11-4-9-23(19,26)15-28-21-7-1-2-10-25-21/h1-3,5-7,10,13-14,19,27H,4,8-9,11-12,15H2.
What are the key properties of 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol?
5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol has a molecular weight of 378.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-1-yl]naphthalen-2-ol is sourced from PubChem (CID 164521938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).