4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine

C19H16FN3O — CID 118205407

IUPAC4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cc(-c2cc(OCc3ccccn3)nc3c2CCC3)ccn1
InChIInChI=1S/C19H16FN3O/c20-18-10-13(7-9-22-18)16-11-19(23-17-6-3-5-15(16)17)24-12-14-4-1-2-8-21-14/h1-2,4,7-11H,3,5-6,12H2
InChIKeyUYSGDFUPAGOOQO-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.75
Rot. Bonds4

About 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 118205407) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID118205407
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cc(-c2cc(OCc3ccccn3)nc3c2CCC3)ccn1
InChIInChI=1S/C19H16FN3O/c20-18-10-13(7-9-22-18)16-11-19(23-17-6-3-5-15(16)17)24-12-14-4-1-2-8-21-14/h1-2,4,7-11H,3,5-6,12H2
InChIKeyUYSGDFUPAGOOQO-UHFFFAOYSA-N
XLogP3.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 118205407) is 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1cc(-c2cc(OCc3ccccn3)nc3c2CCC3)ccn1.
What is the InChIKey of 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is UYSGDFUPAGOOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-18-10-13(7-9-22-18)16-11-19(23-17-6-3-5-15(16)17)24-12-14-4-1-2-8-21-14/h1-2,4,7-11H,3,5-6,12H2.
What are the key properties of 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 321.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 118205407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).