2-Amino-3-(trifluoromethoxy)pyridine - CAS 1206981-49-8

Catalog:	BB004940
Product Name:	2-Amino-3-(trifluoromethoxy)pyridine
CAS:	1206981-49-8
Synonyms:	3-(trifluoromethoxy)-2-pyridinamine; 3-(trifluoromethoxy)pyridin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(trifluoromethoxy)pyridin-2-amine
Description:	2-Amino-3-(trifluoromethoxy)pyridine (CAS# 1206981-49-8) is a useful research chemical compound.
Molecular Weight:	178.11
Molecular Formula:	C6H5F3N2O
Canonical SMILES:	C1=CC(=C(N=C1)N)OC(F)(F)F
InChI:	InChI=1S/C6H5F3N2O/c7-6(8,9)12-4-2-1-3-11-5(4)10/h1-3H,(H2,10,11)
InChI Key:	WCRYAXUZQGCSAO-UHFFFAOYSA-N
LogP:	2.14360

Publication Number	Title	Priority Date
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
WO-2019241244-A1	Salts of bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (dlk) kinase for the treatment of disease	20180613
WO-2019090074-A1	Modulators of the integrated stress pathway	20171102
EP-3704089-A1	Modulators of the integrated stress pathway	20171102
BR-112019011801-A2	compound, pharmaceutical composition and dlk inhibition method, method of treating a dlk-mediated disease, method of treating cancer and reducing the development of a chemotherapy-induced neurological disorder and method for achieving an effect in a patient	20161208

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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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.03539727
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.03539727
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7