2-Amino-3-nitro-6-(trifluoromethyl)pyridine - CAS 893444-21-8

Catalog:	BB039434
Product Name:	2-Amino-3-nitro-6-(trifluoromethyl)pyridine
CAS:	893444-21-8
Synonyms:	3-nitro-6-(trifluoromethyl)-2-pyridinamine; 3-nitro-6-(trifluoromethyl)pyridin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-nitro-6-(trifluoromethyl)pyridin-2-amine
Description:	2-Amino-3-nitro-6-(trifluoromethyl)pyridine (CAS# 893444-21-8 ) is a useful research chemical.
Molecular Weight:	207.11
Molecular Formula:	C6H4F3N3O2
Canonical SMILES:	C1=CC(=NC(=C1[N+](=O)[O-])N)C(F)(F)F
InChI:	InChI=1S/C6H4F3N3O2/c7-6(8,9)4-2-1-3(12(13)14)5(10)11-4/h1-2H,(H2,10,11)
InChI Key:	YSMYCFONKCAXBB-UHFFFAOYSA-N
LogP:	2.69520

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2012064569-A1	Imidazole derivatives	20101108
WO-2012044567-A2	Imidazole derivatives	20100930
US-2006211702-A1	Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as Raf kinase inhibitors	20041213
US-2011059976-A1	Pyrido pyrimidinones, dihydro pyrimido pyrimidinones and pteridinones useful as raf kinase inhibitors	20041213

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.02556087
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.02556087
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8