5-bromo-3-(trifluoromethyl)pyridin-2-amine - CAS 79456-34-1

Catalog:	BB036354
Product Name:	5-bromo-3-(trifluoromethyl)pyridin-2-amine
CAS:	79456-34-1
Synonyms:	5-bromo-3-(trifluoromethyl)-2-pyridinamine; 5-bromo-3-(trifluoromethyl)pyridin-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-3-(trifluoromethyl)pyridin-2-amine
Description:	5-bromo-3-(trifluoromethyl)pyridin-2-amine (CAS# 79456-34-1) is a useful research chemical.
Molecular Weight:	241.01
Molecular Formula:	C6H4BrF3N2
Canonical SMILES:	C1=C(C(=NC=C1Br)N)C(F)(F)F
InChI:	InChI=1S/C6H4BrF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2H,(H2,11,12)
InChI Key:	QUYZBNHTYCLZLW-UHFFFAOYSA-N
Boiling Point:	216.6 °C at 760 mmHg
Purity:	96 %
Density:	1.79 g/cm³
MDL:	MFCD10758088
LogP:	3.02630

Publication Number	Title	Priority Date
WO-2021122745-A1	4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use	20191216
WO-2021003161-A1	Beta adrenergic agonist and methods of using the same	20190701
US-2020339559-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020219871-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313

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Related Functional Groups

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.95100
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.95100
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1