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

C19H16FN3O — CID 118205502

IUPAC4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCC2
InChIInChI=1S/C19H16FN3O/c20-19-15(7-4-10-22-19)16-11-18(23-17-8-3-6-14(16)17)24-12-13-5-1-2-9-21-13/h1-2,4-5,7,9-11H,3,6,8,12H2
InChIKeyNKDIYHWBHMMBTN-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.75
Rot. Bonds4

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

4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 118205502) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID118205502
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCC2
InChIInChI=1S/C19H16FN3O/c20-19-15(7-4-10-22-19)16-11-18(23-17-8-3-6-14(16)17)24-12-13-5-1-2-9-21-13/h1-2,4-5,7,9-11H,3,6,8,12H2
InChIKeyNKDIYHWBHMMBTN-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-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 118205502) is 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1ncccc1-c1cc(OCc2ccccn2)nc2c1CCC2.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is NKDIYHWBHMMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-19-15(7-4-10-22-19)16-11-18(23-17-8-3-6-14(16)17)24-12-13-5-1-2-9-21-13/h1-2,4-5,7,9-11H,3,6,8,12H2.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-(2-fluoro-3-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-3-pyridinyl)-2-(pyridin-2-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 118205502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).