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

C18H14ClFN2O3 — CID 122456229

IUPAC4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=c1cc(OCCOc2cccnc2Cl)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3/c19-18-16(2-1-8-21-18)25-11-10-24-15-7-9-22(17(23)12-15)14-5-3-13(20)4-6-14/h1-9,12H,10-11H2
InChIKeyBSWQWCOBNAXGBL-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.48
Rot. Bonds6

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

4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 122456229) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one
PubChem CID122456229
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=c1cc(OCCOc2cccnc2Cl)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3/c19-18-16(2-1-8-21-18)25-11-10-24-15-7-9-22(17(23)12-15)14-5-3-13(20)4-6-14/h1-9,12H,10-11H2
InChIKeyBSWQWCOBNAXGBL-UHFFFAOYSA-N
XLogP3.48
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.48
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 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one (CID 122456229) is 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one is O=c1cc(OCCOc2cccnc2Cl)ccn1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
The InChIKey is BSWQWCOBNAXGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-18-16(2-1-8-21-18)25-11-10-24-15-7-9-22(17(23)12-15)14-5-3-13(20)4-6-14/h1-9,12H,10-11H2.
What are the key properties of 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one has a molecular weight of 360.77 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 122456229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).