2-Chloro-3-nitro-6-(trifluoromethyl)pyridine - CAS 117519-08-1

Catalog:	BB003949
Product Name:	2-Chloro-3-nitro-6-(trifluoromethyl)pyridine
CAS:	117519-08-1
Synonyms:	2-chloro-3-nitro-6-(trifluoromethyl)pyridine; 2-chloro-3-nitro-6-(trifluoromethyl)pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-3-nitro-6-(trifluoromethyl)pyridine
Description:	2-Chloro-3-nitro-6-(trifluoromethyl)pyridine (CAS# 117519-08-1) is a useful research chemical.
Molecular Weight:	226.54
Molecular Formula:	C6H2ClF3N2O2
Canonical SMILES:	C1=CC(=NC(=C1[N+](=O)[O-])Cl)C(F)(F)F
InChI:	InChI=1S/C6H2ClF3N2O2/c7-5-3(12(13)14)1-2-4(11-5)6(8,9)10/h1-2H
InChI Key:	RBLRRZSRLXGELK-UHFFFAOYSA-N
Boiling Point:	242.5 °C at 760 mmHg
Density:	1.618 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09864674
LogP:	3.18520

Publication Number	Title	Priority Date
WO-2020185738-A1	Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders	20190311
WO-2019015672-A1	PYRIDOIMIDAZOLE COMPOUND AND USE THEREOF	20170721
AU-2017225371-A1	Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (DUB) inhibitors	20160304
CA-3016370-A1	Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (dub) inhibitors	20160304
EP-3423454-A1	Spiro-condensed pyrrolidine derivatives as deubiquitylating enzymes (dub) inhibitors	20160304

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Related Functional Groups

Pyridines

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3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
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3-Bromo-2-(bromomethyl)-6-fluoropyridine

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.9756895
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.9756895
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6