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

C19H13F3N2O2 — CID 58349306

IUPAC1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-4-1-3-13(9-14)10-18(25)17-11-15(6-8-24-17)26-16-5-2-7-23-12-16/h1-9,11-12H,10H2
InChIKeyPRMFDBUTHIIVCI-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.71
Rot. Bonds5

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

1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 58349306) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID58349306
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC Name1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1cccc(C(F)(F)F)c1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-4-1-3-13(9-14)10-18(25)17-11-15(6-8-24-17)26-16-5-2-7-23-12-16/h1-9,11-12H,10H2
InChIKeyPRMFDBUTHIIVCI-UHFFFAOYSA-N
XLogP4.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.71
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-(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-[2-[2-Phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 10310313
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
3-Fluoro-5-(5-(2-pyridyl)-2-furyl)-benzonitrile
CID 21942492
N-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide
CID 25230662
N-(3-pyridylmethyl){5-[3-(trifluoromethyl)phenyl]-2-furyl}methanamine
CID 16044337

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 58349306) is 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1cccc(C(F)(F)F)c1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PRMFDBUTHIIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)14-4-1-3-13(9-14)10-18(25)17-11-15(6-8-24-17)26-16-5-2-7-23-12-16/h1-9,11-12H,10H2.
What are the key properties of 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 358.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-yloxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 58349306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).