2,6-Dichloro-4-(trifluoromethyl)pyridine - CAS 39890-98-7

Catalog:	BB024179
Product Name:	2,6-Dichloro-4-(trifluoromethyl)pyridine
CAS:	39890-98-7
Synonyms:	2,6-dichloro-4-(trifluoromethyl)pyridine

Technical Data

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Patents

Literatures

Computed Properties

IUPAC Name:	2,6-dichloro-4-(trifluoromethyl)pyridine
Description:	A tri-substituted pyridine used in the preparation of pharmaceuticals agents with antitumor activities.
Molecular Weight:	215.99
Molecular Formula:	C6H2Cl2F3N
Canonical SMILES:	C1=C(C=C(N=C1Cl)Cl)C(F)(F)F
InChI:	InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-5(8)12-4/h1-2H
InChI Key:	KVNQWVYYVLCZKK-UHFFFAOYSA-N
Boiling Point:	85 °C / 40 mmHg
Density:	1.505 g/mL at 25°C
Appearance:	Colorless liquid
MDL:	MFCD00042246
LogP:	3.40720

Publication Number	Title	Priority Date
CN-111574440-A	Preparation method of 4-trifluoromethyl nicotinic acid	20200525
WO-2021162746-A1	Propylene polymers obtained using transition metal bis(phenolate) catalyst complexes and homogeneous process for production thereof	20200211
RU-2723682-C1	Method of producing 4'-(trifluoromethyl)-2,2':6',2''-terpyridine	20200203
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223

PMID	Publication Date	Title	Journal
11425579	20010701	Synthesis of novel analogues of marine indole alkaloids: mono(indolyl)-4-trifluoromethylpyridines and bis(indolyl)-4-trifluoromethylpyridines as potential anticancer agents	Bioorganic & medicinal chemistry

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Related Functional Groups

Pyridines

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[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[2241983-13-9]
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D

GHS Hazard Statement:	H301 (81.63%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9516389
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.9516389
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7