3-Amino-5-(trifluoromethyl)pyridine - CAS 112110-07-3

Catalog:	BB002876
Product Name:	3-Amino-5-(trifluoromethyl)pyridine
CAS:	112110-07-3
Synonyms:	5-(trifluoromethyl)-3-pyridinamine; 5-(trifluoromethyl)pyridin-3-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(trifluoromethyl)pyridin-3-amine
Description:	3-Amino-5-(trifluoromethyl)pyridine (CAS# 112110-07-3) is a useful research chemical.
Molecular Weight:	162.11
Molecular Formula:	C6H5F3N2
Canonical SMILES:	C1=C(C=NC=C1N)C(F)(F)F
InChI:	InChI=1S/C6H5F3N2/c7-6(8,9)4-1-5(10)3-11-2-4/h1-3H,10H2
InChI Key:	NJFRBMFEAGFNDC-UHFFFAOYSA-N
Boiling Point:	239.1 °C at 760 mmHg
Density:	1.368 g/cm³
Appearance:	Solid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.26380

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021043245-A1	Hydantoin derivative	20190906
WO-2021045159-A1	Therapeutic or prophylactic method for diabetes using combination medicine	20190904
WO-2021045161-A1	Chronic kidney disease treatment or prevention method	20190904

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): 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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.04048265
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.04048265
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1