1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one

C18H15FN2O3 — CID 122456132

IUPAC1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one
SMILESO=c1cc(OCCOc2ccccc2)ccn1-c1cncc(F)c1
InChIInChI=1S/C18H15FN2O3/c19-14-10-15(13-20-12-14)21-7-6-17(11-18(21)22)24-9-8-23-16-4-2-1-3-5-16/h1-7,10-13H,8-9H2
InChIKeyYELWMDNQWAOTPC-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.83
Rot. Bonds6

About 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one

1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one (PubChem CID 122456132) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one
PubChem CID122456132
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one
SMILESO=c1cc(OCCOc2ccccc2)ccn1-c1cncc(F)c1
InChIInChI=1S/C18H15FN2O3/c19-14-10-15(13-20-12-14)21-7-6-17(11-18(21)22)24-9-8-23-16-4-2-1-3-5-16/h1-7,10-13H,8-9H2
InChIKeyYELWMDNQWAOTPC-UHFFFAOYSA-N
XLogP2.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.83
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 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one (CID 122456132) is 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one is O=c1cc(OCCOc2ccccc2)ccn1-c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one?
The InChIKey is YELWMDNQWAOTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-14-10-15(13-20-12-14)21-7-6-17(11-18(21)22)24-9-8-23-16-4-2-1-3-5-16/h1-7,10-13H,8-9H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one?
1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one has a molecular weight of 326.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-4-(2-phenoxyethoxy)pyridin-2-one is sourced from PubChem (CID 122456132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).