2-Cyano-3-(trifluoromethyl)pyridine - CAS 406933-21-9

Catalog:	BB024626
Product Name:	2-Cyano-3-(trifluoromethyl)pyridine
CAS:	406933-21-9
Synonyms:	3-(trifluoromethyl)-2-pyridinecarbonitrile; 3-(trifluoromethyl)pyridine-2-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(trifluoromethyl)pyridine-2-carbonitrile
Description:	2-Cyano-3-(trifluoromethyl)pyridine (CAS# 406933-21-9) is a useful research chemical.
Molecular Weight:	172.11
Molecular Formula:	C7H3F3N2
Canonical SMILES:	C1=CC(=C(N=C1)C#N)C(F)(F)F
InChI:	InChI=1S/C7H3F3N2/c8-7(9,10)5-2-1-3-12-6(5)4-11/h1-3H
InChI Key:	RDEFTHKSTLWCEU-UHFFFAOYSA-N
Boiling Point:	240.468 °C at 760 mmHg
Density:	1.373 g/cm³
LogP:	1.97208

Publication Number	Title	Priority Date
WO-2021055756-A1	Spirocyclic androgen receptor protein degraders	20190919
WO-2021033098-A1	Process for the preparation of apalutamide	20190822
WO-2021030537-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
WO-2020132014-A1	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219
EP-3897636-A1	Substituted 3-((3-aminophenyl)amino)piperidine-2,6-dione compounds, compositions thereof, and methods of treatment therewith	20181219

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.02483259
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.02483259
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8