2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C20H16F2N2O2 — CID 58349246

IUPAC2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1
InChIInChI=1S/C20H16F2N2O2/c1-20(21,22)15-5-2-4-14(10-15)11-19(25)18-12-16(7-9-24-18)26-17-6-3-8-23-13-17/h2-10,12-13H,11H2,1H3
InChIKeyQTYNUZKUUQIPDG-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.81
Rot. Bonds6

About 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349246) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349246
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1
InChIInChI=1S/C20H16F2N2O2/c1-20(21,22)15-5-2-4-14(10-15)11-19(25)18-12-16(7-9-24-18)26-17-6-3-8-23-13-17/h2-10,12-13H,11H2,1H3
InChIKeyQTYNUZKUUQIPDG-UHFFFAOYSA-N
XLogP4.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
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
3,4-Dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
CID 3242485
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-1-methyl-piperidin-4-ol
CID 9819930
4-[2-[2-Phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 10310313
Pyridin-3-yl 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11279826
3-Fluoro-5-(5-(2-pyridyl)-2-furyl)-benzonitrile
CID 21942492

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349246) is 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is QTYNUZKUUQIPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-20(21,22)15-5-2-4-14(10-15)11-19(25)18-12-16(7-9-24-18)26-17-6-3-8-23-13-17/h2-10,12-13H,11H2,1H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 354.36 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).