2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile

C14H5F5N2O — CID 134841116

IUPAC2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile
SMILESN#Cc1c(F)cc(F)cc1C(=O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H5F5N2O/c15-8-4-9(10(6-20)11(16)5-8)13(22)7-1-2-21-12(3-7)14(17,18)19/h1-5H
InChIKeyFLGAKKYYEVCPMI-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.48
Rot. Bonds2

About 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile

2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile (PubChem CID 134841116) has the molecular formula C14H5F5N2O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile.

Molecular Properties

Compound Name2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile
PubChem CID134841116
Molecular FormulaC14H5F5N2O
Molecular Weight312.20 g/mol
Exact Mass312.03
IUPAC Name2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile
SMILESN#Cc1c(F)cc(F)cc1C(=O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C14H5F5N2O/c15-8-4-9(10(6-20)11(16)5-8)13(22)7-1-2-21-12(3-7)14(17,18)19/h1-5H
InChIKeyFLGAKKYYEVCPMI-UHFFFAOYSA-N
XLogP3.48
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile 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

4-Benzoylpyridine
CID 26731
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
(e)-2-(Pyridin-2-ylmethylene)-2,3-dihydro-1h-inden-1-one
CID 6526506
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
1-Phenyl-3-(pyridin-2-yl)propane-1,3-dione
CID 238448
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
2-Phenyl-1-(pyridin-4-yl)ethan-1-one
CID 11041704
1-Phenyl-2-pyridin-3-yl-propan-1-one
CID 11356288
(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
(E)-1-(3,4-difluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 16319272

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile?
The IUPAC name of 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile (CID 134841116) is 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile.
What is the SMILES notation for 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile?
The canonical SMILES for 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile is N#Cc1c(F)cc(F)cc1C(=O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile?
The InChIKey is FLGAKKYYEVCPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F5N2O/c15-8-4-9(10(6-20)11(16)5-8)13(22)7-1-2-21-12(3-7)14(17,18)19/h1-5H.
What are the key properties of 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile?
2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile has a molecular weight of 312.20 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[2-(trifluoromethyl)pyridine-4-carbonyl]benzonitrile is sourced from PubChem (CID 134841116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).