2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C17H12FN3O2 — CID 58349311

IUPAC2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)cn1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C17H12FN3O2/c18-12-3-4-13(21-10-12)8-17(22)16-9-14(5-7-20-16)23-15-2-1-6-19-11-15/h1-7,9-11H,8H2
InChIKeyLMPCHGONLSXYLY-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.23
Rot. Bonds5

About 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349311) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349311
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)cn1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C17H12FN3O2/c18-12-3-4-13(21-10-12)8-17(22)16-9-14(5-7-20-16)23-15-2-1-6-19-11-15/h1-7,9-11H,8H2
InChIKeyLMPCHGONLSXYLY-UHFFFAOYSA-N
XLogP3.23
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(6-methyl-3-pyridinyl)oxy]pyridine-2-carboxamide
CID 60198048
4-(4-Fluorophenyl)-5-(pyridin-3-ylmethoxy)picolinamide
CID 122539668
4-(4-Fluorophenyl)-5-(((6-(trifluoromethyl)pyridin-3-yl)oxy)methyl)picolinamide
CID 122539705
4-(4-Fluorophenyl)-5-(pyridin-4-ylmethoxy)picolinamide
CID 122539711
4-(4-Fluorophenyl)-5-(2-((2-fluoropyridin-4-yl)oxy)ethoxy)picolinamide
CID 122539746
US11274108, Example 1-263
CID 126483952
2-Methylfuro(3,2-b)pyridine
CID 13580283
8-(2-Fluorophenyl)-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one
CID 134807375
8-(2-Fluorophenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
CID 134808899
US8598345, Table 1-1
CID 51038394
US8598345, Table 1-6
CID 51038609

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349311) is 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is O=C(Cc1ccc(F)cn1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is LMPCHGONLSXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-12-3-4-13(21-10-12)8-17(22)16-9-14(5-7-20-16)23-15-2-1-6-19-11-15/h1-7,9-11H,8H2.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 309.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).