3-pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenylamino]-5-[[2-(trifluoromethyl- phenyl]azo]-

Mainterm	3-pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenylamino]-5-[[2-(trifluoromethyl- phenyl]azo]-
CAS Reg.No.(or other ID)	669005-94-1
Regnum

From www.fda.gov

2D Structure
CID	11605744
IUPAC Name	4-methyl-2,6-bis(4-methylanilino)-5-[[2-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile
InChI	InChI=1S/C28H23F3N6/c1-17-8-12-20(13-9-17)33-26-22(16-32)19(3)25(27(35-26)34-21-14-10-18(2)11-15-21)37-36-24-7-5-4-6-23(24)28(29,30)31/h4-15H,1-3H3,(H2,33,34,35)
InChI Key	FOICTPKVVFHDJU-UHFFFAOYSA-N
Canonical SMILES	CC1=CC=C(C=C1)NC2=C(C(=C(C(=N2)NC3=CC=C(C=C3)C)C#N)C)N=NC4=CC=CC=C4C(F)(F)F
Molecular Formula	C28H23F3N6

From Pubchem

Property Name	Property Value
Molecular Weight	500.529
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Complexity	794.0
CACTVS Substructure Key Fingerprint	A A A D c e B 7 g Y A A A A A A A A A A A A A A A A A A A A A A A A A 8 Y M E A A A A A A A A B 1 A A A H Q A Y A A A A D A i B G h A z 8 J L I E A C y B i Z i Z A C i g C k h E i A J m C A g d J i I 4 G L A m Z G U I A h o k A L I y C 8 Q g A A O i A A A A A A C A A A Q A A A A A A Q A A A A A A A A A A A = =
Topological Polar Surface Area	85.5
Monoisotopic Mass	500.194
Exact Mass	500.194
XLogP3	None
XLogP3-AA	8.6
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	37
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Imidolactams 3-pyridinecarbonitriles Hydrocarbon derivatives Aminopyridines and derivatives Nitriles Toluenes Heteroaromatic compounds Aniline and substituted anilines Methylpyridines Secondary amines Organofluorides Alkyl fluorides Azacyclic compounds Azo compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - 3-pyridinecarbonitrile - Aminopyridine - Toluene - Methylpyridine - Pyridine - Imidolactam - Heteroaromatic compound - Azo compound - Azacycle - Carbonitrile - Nitrile - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Amine - Organonitrogen compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

General Information