bis[6-(trifluoromethyl)-3-pyridinyl]methanone

C13H6F6N2O — CID 87948655

IUPACbis[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H6F6N2O/c14-12(15,16)9-3-1-7(5-20-9)11(22)8-2-4-10(21-6-8)13(17,18)19/h1-6H
InChIKeyVNPOCYLCXZYALR-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.75
Rot. Bonds2

About bis[6-(trifluoromethyl)-3-pyridinyl]methanone

bis[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 87948655) has the molecular formula C13H6F6N2O and a molecular weight of 320.19 g/mol. Its IUPAC name is bis[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID87948655
Molecular FormulaC13H6F6N2O
Molecular Weight320.19 g/mol
Exact Mass320.04
IUPAC Namebis[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H6F6N2O/c14-12(15,16)9-3-1-7(5-20-9)11(22)8-2-4-10(21-6-8)13(17,18)19/h1-6H
InChIKeyVNPOCYLCXZYALR-UHFFFAOYSA-N
XLogP3.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
2-bromo-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone;hydrobromide
CID 131636933
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 86715442
3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propanenitrile
CID 68703655
3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 175797767
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
(6-chloro-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methanone
CID 121003917
methyl 3-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 170922910
[3-methyl-5-[5-[6-(trifluoromethyl)pyridine-3-carbonyl]-2-pyridinyl]triazol-4-yl] carbamate
CID 175412676

Frequently Asked Questions

What is the IUPAC name of bis[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of bis[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 87948655) is bis[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for bis[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for bis[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of bis[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is VNPOCYLCXZYALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N2O/c14-12(15,16)9-3-1-7(5-20-9)11(22)8-2-4-10(21-6-8)13(17,18)19/h1-6H.
What are the key properties of bis[6-(trifluoromethyl)-3-pyridinyl]methanone?
bis[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 320.19 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 87948655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).