3-Bromo-2-chloro-5-(trifluoromethyl)pyridine - CAS 71701-92-3

Name: 3-Bromo-2-chloro-5-(trifluoromethyl)pyridine
Brand: BOC Sciences
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Catalog:	BB034459
Product Name:	3-Bromo-2-chloro-5-(trifluoromethyl)pyridine
CAS:	71701-92-3
Synonyms:	3-bromo-2-chloro-5-(trifluoromethyl)pyridine

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-bromo-2-chloro-5-(trifluoromethyl)pyridine
Description:	3-Bromo-2-chloro-5-(trifluoromethyl)pyridine (CAS# 71701-92-3) is a useful research chemical.
Molecular Weight:	260.44
Molecular Formula:	C6H2BrClF3N
Canonical SMILES:	C1=C(C=NC(=C1Br)Cl)C(F)(F)F
InChI:	InChI=1S/C6H2BrClF3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChI Key:	GVQLMGPWTHAUPV-UHFFFAOYSA-N
Boiling Point:	210.51 °C at 760 mmHg
Density:	1.805 g/cm³
MDL:	MFCD09878432
LogP:	3.51630

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Related Functional Groups

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021195781-A1	Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use	20200401
WO-2021195782-A1	Methods of using myt1 inhibitors	20200401
TW-202029963-A	1,2,3,4-tetrahydroquinoline derivatives and preparation method and application thereof	20190123
WO-2020151232-A1	1,2,3,4-tetrahydroquinoxaline derivative, preparation method therefor and application thereof	20190123
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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.90112
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.90112
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4