bis[4-(trifluoromethyl)-3-pyridinyl]methanone

C13H6F6N2O — CID 151901684

IUPACbis[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H6F6N2O/c14-12(15,16)9-1-3-20-5-7(9)11(22)8-6-21-4-2-10(8)13(17,18)19/h1-6H
InChIKeySSWVUVOULAZLFV-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.75
Rot. Bonds2

About bis[4-(trifluoromethyl)-3-pyridinyl]methanone

bis[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 151901684) has the molecular formula C13H6F6N2O and a molecular weight of 320.19 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID151901684
Molecular FormulaC13H6F6N2O
Molecular Weight320.19 g/mol
Exact Mass320.04
IUPAC Namebis[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H6F6N2O/c14-12(15,16)9-1-3-20-5-7(9)11(22)8-6-21-4-2-10(8)13(17,18)19/h1-6H
InChIKeySSWVUVOULAZLFV-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

Analyze bis[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707532
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
(2-methoxy-3-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709642
(3,5-dibromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707725
(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709568
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707726
(4-amino-3,5-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709472
(6-methyl-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707596
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707594

Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of bis[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 151901684) is bis[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for bis[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for bis[4-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F.
What is the InChIKey of bis[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is SSWVUVOULAZLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N2O/c14-12(15,16)9-1-3-20-5-7(9)11(22)8-6-21-4-2-10(8)13(17,18)19/h1-6H.
What are the key properties of bis[4-(trifluoromethyl)-3-pyridinyl]methanone?
bis[4-(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[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 151901684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).