3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one

C14H11F3N2O — CID 102709606

IUPAC3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
SMILESO=C(CCc1cccnc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-5-7-19-9-11(12)13(20)4-3-10-2-1-6-18-8-10/h1-2,5-9H,3-4H2
InChIKeyBNWUIJLHJUCQCE-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.31
Rot. Bonds4

About 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one

3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one (PubChem CID 102709606) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
PubChem CID102709606
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
SMILESO=C(CCc1cccnc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-5-7-19-9-11(12)13(20)4-3-10-2-1-6-18-8-10/h1-2,5-9H,3-4H2
InChIKeyBNWUIJLHJUCQCE-UHFFFAOYSA-N
XLogP3.31
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 105094623
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707552
2-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709315
2-(2-fluorophenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707559
2-(4-methylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707574
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102709433
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one (CID 102709606) is 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one is O=C(CCc1cccnc1)c1cnccc1C(F)(F)F.
What is the InChIKey of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
The InChIKey is BNWUIJLHJUCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-5-7-19-9-11(12)13(20)4-3-10-2-1-6-18-8-10/h1-2,5-9H,3-4H2.
What are the key properties of 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one?
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one has a molecular weight of 280.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 102709606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).