1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one

C18H14F2N2O3 — CID 122456221

IUPAC1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one
SMILESO=c1cc(OCCOc2ccc(F)nc2)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3/c19-13-1-3-14(4-2-13)22-8-7-15(11-18(22)23)24-9-10-25-16-5-6-17(20)21-12-16/h1-8,11-12H,9-10H2
InChIKeyBTQVYNJPYADBPD-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.97
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one

1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one (PubChem CID 122456221) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one
PubChem CID122456221
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one
SMILESO=c1cc(OCCOc2ccc(F)nc2)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H14F2N2O3/c19-13-1-3-14(4-2-13)22-8-7-15(11-18(22)23)24-9-10-25-16-5-6-17(20)21-12-16/h1-8,11-12H,9-10H2
InChIKeyBTQVYNJPYADBPD-UHFFFAOYSA-N
XLogP2.97
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one (CID 122456221) is 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one is O=c1cc(OCCOc2ccc(F)nc2)ccn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one?
The InChIKey is BTQVYNJPYADBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-13-1-3-14(4-2-13)22-8-7-15(11-18(22)23)24-9-10-25-16-5-6-17(20)21-12-16/h1-8,11-12H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one?
1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one has a molecular weight of 344.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-[(6-fluoro-3-pyridinyl)oxy]ethoxy]pyridin-2-one is sourced from PubChem (CID 122456221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).