pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone

C13H8F3NO2 — CID 62789914

IUPACpyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccncc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-11-4-2-1-3-10(11)12(18)9-5-7-17-8-6-9/h1-8H
InChIKeyZOLOYZXFOCAXOE-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.21
Rot. Bonds3

About pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone

pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 62789914) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID62789914
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Namepyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccncc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-11-4-2-1-3-10(11)12(18)9-5-7-17-8-6-9/h1-8H
InChIKeyZOLOYZXFOCAXOE-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627438
[2-bromo-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627398
pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 105094681
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 118801497
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
2-(trifluoromethoxy)benzoate
CID 6933714
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone (CID 62789914) is pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone is O=C(c1ccncc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is ZOLOYZXFOCAXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)19-11-4-2-1-3-10(11)12(18)9-5-7-17-8-6-9/h1-8H.
What are the key properties of pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone?
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 267.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 62789914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).