pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone

C13H8F3NO — CID 14820342

IUPACpyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-5-1-3-9(7-11)12(18)10-4-2-6-17-8-10/h1-8H
InChIKeyFJGQCZNRGLLONR-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.33
Rot. Bonds2

About pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone

pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 14820342) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID14820342
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Namepyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccnc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-5-1-3-9(7-11)12(18)10-4-2-6-17-8-10/h1-8H
InChIKeyFJGQCZNRGLLONR-UHFFFAOYSA-N
XLogP3.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Metyrapone
CID 4174
3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
3-Acetyl-6-methylpyridine
CID 95292
Prt-4165
CID 207893
5,8-Isoquinolinedione
CID 5766
Ethanedione, di-3-pyridinyl-
CID 260384
Benzo(g)isoquinoline-5,10-dione
CID 100650

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone (CID 14820342) is pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccnc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is FJGQCZNRGLLONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)11-5-1-3-9(7-11)12(18)10-4-2-6-17-8-10/h1-8H.
What are the key properties of pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone?
pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 251.21 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 14820342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).