3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol

C20H17FN2O2 — CID 118205211

IUPAC3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2cc(OCc3ccccn3)nc3c2CCC3)c1
InChIInChI=1S/C20H17FN2O2/c21-14-8-13(9-16(24)10-14)18-11-20(23-19-6-3-5-17(18)19)25-12-15-4-1-2-7-22-15/h1-2,4,7-11,24H,3,5-6,12H2
InChIKeyHRGPUTWLFIREOX-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.06
Rot. Bonds4

About 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol

3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol (PubChem CID 118205211) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol
PubChem CID118205211
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol
SMILESOc1cc(F)cc(-c2cc(OCc3ccccn3)nc3c2CCC3)c1
InChIInChI=1S/C20H17FN2O2/c21-14-8-13(9-16(24)10-14)18-11-20(23-19-6-3-5-17(18)19)25-12-15-4-1-2-7-22-15/h1-2,4,7-11,24H,3,5-6,12H2
InChIKeyHRGPUTWLFIREOX-UHFFFAOYSA-N
XLogP4.06
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol (CID 118205211) is 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol is Oc1cc(F)cc(-c2cc(OCc3ccccn3)nc3c2CCC3)c1.
What is the InChIKey of 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol?
The InChIKey is HRGPUTWLFIREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-14-8-13(9-16(24)10-14)18-11-20(23-19-6-3-5-17(18)19)25-12-15-4-1-2-7-22-15/h1-2,4,7-11,24H,3,5-6,12H2.
What are the key properties of 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol?
3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol has a molecular weight of 336.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]phenol is sourced from PubChem (CID 118205211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).