3-Amino-2-hydroxy-5-(trifluoromethyl)pyridine - CAS 90778-25-9

Catalog:	BB039947
Product Name:	3-Amino-2-hydroxy-5-(trifluoromethyl)pyridine
CAS:	90778-25-9
Synonyms:	3-amino-5-(trifluoromethyl)-1H-pyridin-2-one; 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
Description:	3-Amino-2-hydroxy-5-(trifluoromethyl)pyridine (CAS# 90778-25-9) is a useful research chemical.
Molecular Weight:	178.11
Molecular Formula:	C6H5F3N2O
Canonical SMILES:	C1=C(C(=O)NC=C1C(F)(F)F)N
InChI:	InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
InChI Key:	UKJVAYOQXPDMHO-UHFFFAOYSA-N
MDL:	MFCD01238132
LogP:	1.96940

Publication Number	Title	Priority Date
US-2020148634-A1	Acly inhibitors and uses thereof	20181109
WO-2020097408-A1	Acly inhibitors and uses thereof	20181109
US-10562906-B2	TYK2 inhibitors and uses thereof	20170728
US-10562907-B2	TYK2 inhibitors and uses thereof	20170728
US-10570145-B2	TYK2 inhibitors and uses thereof	20170728

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Related Functional Groups

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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:	277
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:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	178.03539727
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2