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

C18H14ClFN2O3 — CID 122456231

IUPAC4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=c1cc(OCCOc2cnccc2Cl)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3/c19-16-5-7-21-12-17(16)25-10-9-24-15-6-8-22(18(23)11-15)14-3-1-13(20)2-4-14/h1-8,11-12H,9-10H2
InChIKeyMDORPTAPMXJTLQ-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.48
Rot. Bonds6

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

4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one (PubChem CID 122456231) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one
PubChem CID122456231
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one
SMILESO=c1cc(OCCOc2cnccc2Cl)ccn1-c1ccc(F)cc1
InChIInChI=1S/C18H14ClFN2O3/c19-16-5-7-21-12-17(16)25-10-9-24-15-6-8-22(18(23)11-15)14-3-1-13(20)2-4-14/h1-8,11-12H,9-10H2
InChIKeyMDORPTAPMXJTLQ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one (CID 122456231) is 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one is O=c1cc(OCCOc2cnccc2Cl)ccn1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
The InChIKey is MDORPTAPMXJTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c19-16-5-7-21-12-17(16)25-10-9-24-15-6-8-22(18(23)11-15)14-3-1-13(20)2-4-14/h1-8,11-12H,9-10H2.
What are the key properties of 4-[2-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one?
4-[2-[(4-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-[(4-chloro-3-pyridinyl)oxy]ethoxy]-1-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 122456231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).