2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C18H13FN2O2 — CID 58349288

IUPAC2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C18H13FN2O2/c19-14-4-1-3-13(9-14)10-18(22)17-11-15(6-8-21-17)23-16-5-2-7-20-12-16/h1-9,11-12H,10H2
InChIKeyLZTZKFCMLPGGAO-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.83
Rot. Bonds5

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

2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349288) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349288
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C18H13FN2O2/c19-14-4-1-3-13(9-14)10-18(22)17-11-15(6-8-21-17)23-16-5-2-7-20-12-16/h1-9,11-12H,10H2
InChIKeyLZTZKFCMLPGGAO-UHFFFAOYSA-N
XLogP3.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
7-(2-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736627
7-(4-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736628
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
CID 16736927
1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
5H-Pyrido(3,2-a)phenoxazin-5-one
CID 10106046

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349288) is 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is O=C(Cc1cccc(F)c1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is LZTZKFCMLPGGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c19-14-4-1-3-13(9-14)10-18(22)17-11-15(6-8-21-17)23-16-5-2-7-20-12-16/h1-9,11-12H,10H2.
What are the key properties of 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 308.31 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).