4-Amino-3-(trifluoromethyl)pyridine - CAS 387824-61-5

Catalog:	BB023756
Product Name:	4-Amino-3-(trifluoromethyl)pyridine
CAS:	387824-61-5
Synonyms:	3-(trifluoromethyl)pyridin-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(trifluoromethyl)pyridin-4-amine
Description:	4-Amino-3-(trifluoromethyl)pyridine (CAS# 387824-61-5) is a reactant in the preparation of pyridinyl salicylamides with antimycobacterial activity.
Molecular Weight:	162.11
Molecular Formula:	C6H5F3N2
Canonical SMILES:	C1=CN=CC(=C1N)C(F)(F)F
InChI:	InChI=1S/C6H5F3N2/c7-6(8,9)4-3-11-2-1-5(4)10/h1-3H,(H2,10,11)
InChI Key:	DYAGVPKVELUYPJ-UHFFFAOYSA-N
Boiling Point:	330.8 °C at 760 mmHg
Melting Point:	98-102 °C
Purity:	95 %
Density:	1.366 g/cm³
Appearance:	White to light yellow crystal
MDL:	MFCD02183554
LogP:	2.26380

Publication Number	Title	Priority Date
CN-107954987-A	A kind of sulfamide derivative and its application in antitumor drug	20171222
CN-107954988-A	A kind of sulfamide derivative, preparation method and its application as NAMPT inhibitor in antitumor drug	20171222
EP-3294714-A1	Morphinan derivatives for the treatment of neuropathic pain	20150508
US-2018127375-A1	Morphinan derivatives for the treatment of neuropathic pain	20150508
WO-2016182840-A1	Morphinan derivatives for the treatment of neuropathic pain	20150508

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Related Functional Groups

Pyridines

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1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
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2-Methyl-3-nitropyridine Hydrochloride

GHS Hazard Statement:	H300 (88.37%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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