2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C18H12F2N2O2 — CID 58349231

IUPAC2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C18H12F2N2O2/c19-15-4-3-12(8-16(15)20)9-18(23)17-10-13(5-7-22-17)24-14-2-1-6-21-11-14/h1-8,10-11H,9H2
InChIKeyPOPJZRPRTQGITJ-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.97
Rot. Bonds5

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

2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349231) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349231
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C18H12F2N2O2/c19-15-4-3-12(8-16(15)20)9-18(23)17-10-13(5-7-22-17)24-14-2-1-6-21-11-14/h1-8,10-11H,9H2
InChIKeyPOPJZRPRTQGITJ-UHFFFAOYSA-N
XLogP3.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]-7-(4-methoxyphenyl)heptane
CID 16735383
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
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
[5-(4-Fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6464045
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-1-methyl-piperidin-4-ol
CID 9819930
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
Pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11279826

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349231) is 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is O=C(Cc1ccc(F)c(F)c1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is POPJZRPRTQGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-15-4-3-12(8-16(15)20)9-18(23)17-10-13(5-7-22-17)24-14-2-1-6-21-11-14/h1-8,10-11H,9H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 326.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).