3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

C20H13FN4O — CID 10154533

IUPAC3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C20H13FN4O/c21-19-16(6-4-10-24-19)17-11-14(18-7-1-2-9-23-18)13-25(20(17)26)15-5-3-8-22-12-15/h1-13H
InChIKeyBGTNYGOBNLWJRT-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.50
Rot. Bonds3

About 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one

3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (PubChem CID 10154533) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
PubChem CID10154533
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
SMILESO=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1cccnc1
InChIInChI=1S/C20H13FN4O/c21-19-16(6-4-10-24-19)17-11-14(18-7-1-2-9-23-18)13-25(20(17)26)15-5-3-8-22-12-15/h1-13H
InChIKeyBGTNYGOBNLWJRT-UHFFFAOYSA-N
XLogP3.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one (CID 10154533) is 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is O=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1cccnc1.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
The InChIKey is BGTNYGOBNLWJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c21-19-16(6-4-10-24-19)17-11-14(18-7-1-2-9-23-18)13-25(20(17)26)15-5-3-8-22-12-15/h1-13H.
What are the key properties of 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one?
3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one has a molecular weight of 344.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 10154533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).